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Chem
J-GLOBAL ID：201807005917537269
Nikkaji number：J3.673.480I 3-[[[1-(3-Nitro-4-chlorophenyl)-1H-1,2,3-triazole-4-yl]methyl]thio]-6-methyl-1,2,4-triazine-5(4H)-one
3-[[[1-(3-ニトロ-4-クロロフェニル)-1H-1,2,3-トリアゾール-4-イル]メチル]チオ]-6-メチル-1,2,4-トリアジン-5(4H)-オン
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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： C13H10ClN6[N+]O2[O-]S
Molecular formula furigana： C13-H10-CL-N7-O3-S
Molecular weight： 379.780
InChI：
InChI=1S/C13H10ClN7O3S/c1-7-12(22)15-13(18-16-7)25-6-8-5-20(19-17-8)9-2-3-10(14)11(4-9)21(23)24/h2-5H,6H2,1H3,(H,15,18,22)
InChI key：
YUROOQSMHFHXDZ-UHFFFAOYSA-N
SMILES：
Cc1nnc(SCc2cn(nn2)c2ccc(Cl)c(c2)[N+](=O)[O-])[nH]c1=O
Systematic name (3)： - 3-[[[1-(3-ニトロ-4-クロロフェニル)-1H-1,2,3-トリアゾール-4-イル]メチル]チオ]-6-メチル-1,2,4-トリアジン-5(4H)-オン
- 3-({[1-(4-クロロ-3-ニトロフェニル)-1H-1,2,3-トリアゾール-4-イル]メチル}スルファニル)-6-メチル-4,5-ジヒドロ-1,2,4-トリアジン-5-オン
- 3-({[1-(4-chloro-3-nitrophenyl)-1H-1,2,3-triazol-4-yl]methyl}sulfanyl)-6-methyl-4,5-dihydro-1,2,4-triazin-5-one
- 3-[[[1-(3-Nitro-4-chlorophenyl)-1H-1,2,3-triazole-4-yl]methyl]thio]-6-methyl-1,2,4-triazine-5(4H)-one
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