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2H-1,2,3-triazole-4-carboxamide, 5-[[[[1-(3-chlorophenyl)-1H-tetrazol-5-yl]thio]acetyl]amino]-2-phenyl-
SpectraBase Compound ID D4T0qbGsaNK
InChI InChI=1S/C18H14ClN9O2S/c19-11-5-4-8-13(9-11)27-18(22-25-26-27)31-10-14(29)21-17-15(16(20)30)23-28(24-17)12-6-2-1-3-7-12/h1-9H,10H2,(H2,20,30)(H,21,24,29)
InChIKey KZRPIJGWILCDKR-UHFFFAOYSA-N
Mol Weight 455.88 g/mol
Molecular Formula C18H14ClN9O2S
Exact Mass 455.06797 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LVCEPLq2JXH
Name 5-[2-[[1-(3-chlorophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]-2-phenyl-1,2,3-triazole-4-carboxamide
Alternate Name(s) 5-[[2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-2-phenyl-triazole-4-carboxamide 5-[[2-[[1-(3-chlorophenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]-2-phenyl-4-triazolecarboxamide 5-[[2-[[1-(3-chlorophenyl)tetrazol-5-yl]thio]acetyl]amino]-2-phenyl-triazole-4-carboxamide
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Formula C18H14ClN9O2S
InChI InChI=1S/C18H14ClN9O2S/c19-11-5-4-8-13(9-11)27-18(22-25-26-27)31-10-14(29)21-17-15(16(20)30)23-28(24-17)12-6-2-1-3-7-12/h1-9H,10H2,(H2,20,30)(H,21,24,29)
InChIKey KZRPIJGWILCDKR-UHFFFAOYSA-N
Molecular Weight 455.884 g/mol
SMILES NC(c1n[n](nc1NC(=O)CSc1[n](nnn1)-c1cc(Cl)ccc1)-c1ccccc1)=O
SPLASH splash10-0ufr-8910000000-323169425a6e55b2774a
Wiley ID 1464260