Cas no 129544-88-3 (3-(benzylsulfanyl)-5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole)
![3-(benzylsulfanyl)-5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole structure](https://ossimg.kuujia.com/scimg/130000/129544-88-3x500.png)
129544-88-3 structure
Product Name:3-(benzylsulfanyl)-5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole
CAS No:129544-88-3
MF:C22H18ClN3OS
MW:407.915822505951
CID:3073137
PubChem ID:1743981
Update Time:2025-04-21
3-(benzylsulfanyl)-5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole Chemical and Physical Properties
Names and Identifiers
-
- 3-(benzylsulfanyl)-5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole
- AKOS000586147
- 129544-88-3
- 3-(benzylthio)-5-((4'-chlorophenoxy)methyl)-4-phenyl-4h-1,2,4-triazole
- [5-(BENZYLSULFANYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]METHYL (4-CHLOROPHENYL) ETHER
- Z24167740
- 3-benzylsulfanyl-5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazole
- AK-968/12713119
-
- Inchi： 1S/C22H18ClN3OS/c23-18-11-13-20(14-12-18)27-15-21-24-25-22(26(21)19-9-5-2-6-10-19)28-16-17-7-3-1-4-8-17/h1-14H,15-16H2
- InChI Key： NCRRLTKBJSBCAX-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)OCC1=NN=C(N1C1C=CC=CC=1)SCC1C=CC=CC=1
Computed Properties
- Exact Mass: 407.0859111Da
- Monoisotopic Mass: 407.0859111Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 28
- Rotatable Bond Count: 7
- Complexity: 451
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.6
- Topological Polar Surface Area: 65.2?2
3-(benzylsulfanyl)-5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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