Chem
J-GLOBAL ID：200907047316399548
Nikkaji number：J1.792.885F
3-(2-Methylbenzylthio)-4-phenyl-4H-1,2,4-triazole
3-(2-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/c1-13-7-5-6-8-14(13)11-20-16-18-17-12-19(16)15-9-3-2-4-10-15/h2-10,12H,11H2,1H3
InChI key：
KZWQVMKRFSPJMN-UHFFFAOYSA-N
SMILES：
Cc1ccccc1CSc1nncn1c1ccccc1
Systematic name (3)：
- 3-(2-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-{[(2-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-{[(2-methylphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
- 3-(2-Methylbenzylthio)-4-phenyl-4H-1,2,4-triazole
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