Chem
J-GLOBAL ID：200907070680598779
Nikkaji number：J1.792.895C
3-(4-Fluorobenzylthio)-4-phenyl-4H-1,2,4-triazole
3-(4-フルオロベンジルチオ)-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： C15H12FN3S
Molecular formula furigana： C15-H12-F-N3-S
Molecular weight： 285.340
InChI：
InChI=1S/C15H12FN3S/c16-13-8-6-12(7-9-13)10-20-15-18-17-11-19(15)14-4-2-1-3-5-14/h1-9,11H,10H2
InChI key：
XQXCALCTQCQAEH-UHFFFAOYSA-N
SMILES：
Fc1ccc(CSc2nncn2c2ccccc2)cc1
Systematic name (3)：
- 3-(4-フルオロベンジルチオ)-4-フェニル-4H-1,2,4-トリアゾール
- 3-{[(4-フルオロフェニル)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-fluorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
- 3-(4-Fluorobenzylthio)-4-phenyl-4H-1,2,4-triazole
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