Chem
J-GLOBAL ID：200907013501543033
Nikkaji number：J1.788.616I
3-(3-Methylbenzylthio)-4-phenyl-4H-1,2,4-triazole
3-(3-メチルベンジルチオ)-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： C16H15N3S
Molecular formula furigana： C16-H15-N3-S
Molecular weight： 281.380
InChI：
InChI=1S/C16H15N3S/c1-13-6-5-7-14(10-13)11-20-16-18-17-12-19(16)15-8-3-2-4-9-15/h2-10,12H,11H2,1H3
InChI key：
CGCVMSMFCBUYCR-UHFFFAOYSA-N
SMILES：
Cc1cccc(CSc2nncn2c2ccccc2)c1
Systematic name (3)：
- 3-(3-メチルベンジルチオ)-4-フェニル-4H-1,2,4-トリアゾール
- 3-{[(3-メチルフェニル)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-{[(3-methylphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
- 3-(3-Methylbenzylthio)-4-phenyl-4H-1,2,4-triazole
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