Chem
J-GLOBAL ID：200907031773221025
Nikkaji number：J1.792.907K
3-(4-Chlorobenzylthio)-4-phenyl-5-methyl-4H-1,2,4-triazole
3-(4-クロロベンジルチオ)-4-フェニル-5-メチル-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： C16H14ClN3S
Molecular formula furigana： C16-H14-CL-N3-S
Molecular weight： 315.820
InChI：
InChI=1S/C16H14ClN3S/c1-12-18-19-16(20(12)15-5-3-2-4-6-15)21-11-13-7-9-14(17)10-8-13/h2-10H,11H2,1H3
InChI key：
ZXKXYYNRDFNZGH-UHFFFAOYSA-N
SMILES：
Cc1nnc(SCc2ccc(Cl)cc2)n1c1ccccc1
Systematic name (3)：
- 3-(4-クロロベンジルチオ)-4-フェニル-5-メチル-4H-1,2,4-トリアゾール
- 3-{[(4-クロロフェニル)メチル]スルファニル}-5-メチル-4-フェニル-4H-1,2,4-トリアゾール
- 3-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-4-phenyl-4H-1,2,4-triazole
- 3-(4-Chlorobenzylthio)-4-phenyl-5-methyl-4H-1,2,4-triazole
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