Chem
J-GLOBAL ID：200907064058449073
Nikkaji number：J1.792.887B
3-(3-Methoxybenzylthio)-4-phenyl-4H-1,2,4-triazole
3-(3-メトキシベンジルチオ)-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： C16H15N3OS
Molecular formula furigana： C16-H15-N3-O-S
Molecular weight： 297.380
InChI：
InChI=1S/C16H15N3OS/c1-20-15-9-5-6-13(10-15)11-21-16-18-17-12-19(16)14-7-3-2-4-8-14/h2-10,12H,11H2,1H3
InChI key：
QFWSSAPEZLXKEZ-UHFFFAOYSA-N
SMILES：
COc1cccc(CSc2nncn2c2ccccc2)c1
Systematic name (3)：
- 3-(3-メトキシベンジルチオ)-4-フェニル-4H-1,2,4-トリアゾール
- 3-{[(3-メトキシフェニル)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-methoxyphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
- 3-(3-Methoxybenzylthio)-4-phenyl-4H-1,2,4-triazole
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