Chem
J-GLOBAL ID：200907064363918261
Nikkaji number：J1.792.884H
3-(2-Chlorobenzylthio)-4-phenyl-4H-1,2,4-triazole
3-(2-クロロベンジルチオ)-4-フェニル-4H-1,2,4-トリアゾール
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C15H12ClN3S
Molecular formula furigana： C15-H12-CL-N3-S
Molecular weight： 301.790
InChI：
InChI=1S/C15H12ClN3S/c16-14-9-5-4-6-12(14)10-20-15-18-17-11-19(15)13-7-2-1-3-8-13/h1-9,11H,10H2
InChI key：
PNYQMFOCAQMDLF-UHFFFAOYSA-N
SMILES：
Clc1ccccc1CSc1nncn1c1ccccc1
Systematic name (3)：
- 3-(2-クロロベンジルチオ)-4-フェニル-4H-1,2,4-トリアゾール
- 3-{[(2-クロロフェニル)メチル]スルファニル}-4-フェニル-4H-1,2,4-トリアゾール
- 3-{[(2-chlorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
- 3-(2-Chlorobenzylthio)-4-phenyl-4H-1,2,4-triazole
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