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[4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]-(2-pyridyl)methanone
SpectraBase Compound ID KStnpRtB985
InChI InChI=1S/C22H17N5O3S/c1-26-20(13-15-7-3-2-4-8-15)24-25-22(26)31-19-11-10-16(14-18(19)27(29)30)21(28)17-9-5-6-12-23-17/h2-12,14H,13H2,1H3
InChIKey OLUYFRBQERJHGP-UHFFFAOYSA-N
Mol Weight 431.47 g/mol
Molecular Formula C22H17N5O3S
Exact Mass 431.105211 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4m6el2OuEgc
Name [4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]-(2-pyridyl)methanone
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Formula C22H17N5O3S
InChI InChI=1S/C22H17N5O3S/c1-26-20(13-15-7-3-2-4-8-15)24-25-22(26)31-19-11-10-16(14-18(19)27(29)30)21(28)17-9-5-6-12-23-17/h2-12,14H,13H2,1H3
InChIKey OLUYFRBQERJHGP-UHFFFAOYSA-N
Molecular Weight 431.470 g/mol
SMILES c1ccccc1Cc1nnc(Sc2ccc(C(=O)c3ncccc3)cc2N(=O)=O)[n]1C
SPLASH splash10-002f-9200000000-038098c971bdf62340ec
Synonyms [4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]-pyridin-2-ylmethanone [4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]-(2-pyridyl)methanone [4-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]-pyridin-2-yl-methanone [4-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-3-nitrophenyl]-(2-pyridinyl)methanone
Wiley ID 1512426