Chem
J-GLOBAL ID：200907084580721051
Nikkaji number：J1.792.894E
3-(4-Ethoxybenzylthio)-4-phenyl-4H-1,2,4-triazole
3-(4-エ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： C17H17N3OS
Molecular formula furigana： C17-H17-N3-O-S
Molecular weight： 311.400
InChI：
InChI=1S/C17H17N3OS/c1-2-21-16-10-8-14(9-11-16)12-22-17-19-18-13-20(17)15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3
InChI key：
RKOJHEHDVCCMND-UHFFFAOYSA-N
SMILES：
CCOc1ccc(CSc2nncn2c2ccccc2)cc1
Systematic name (3)：
- 3-(4-エ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-{[(4-エトキシフェニル)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-{[(4-ethoxyphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
- 3-(4-Ethoxybenzylthio)-4-phenyl-4H-1,2,4-triazole
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