Chem
J-GLOBAL ID：200907032644193100
Nikkaji number：J1.792.886D
3-(2-Methoxybenzylthio)-4-phenyl-4H-1,2,4-triazole
3-(2-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/c1-20-15-10-6-5-7-13(15)11-21-16-18-17-12-19(16)14-8-3-2-4-9-14/h2-10,12H,11H2,1H3
InChI key：
HXDNODIIJSFDJK-UHFFFAOYSA-N
SMILES：
COc1ccccc1CSc1nncn1c1ccccc1
Systematic name (3)：
- 3-(2-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-{[(2-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-{[(2-methoxyphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
- 3-(2-Methoxybenzylthio)-4-phenyl-4H-1,2,4-triazole
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