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2H-1,2,3-triazole-4-carboxamide, 5-[[[[1-(3-chloro-4-methylphenyl)-1H-tetrazol-5-yl]thio]acetyl]amino]-2-phenyl-
SpectraBase Compound ID 4vI02nebC2S
InChI InChI=1S/C19H16ClN9O2S/c1-11-7-8-13(9-14(11)20)28-19(23-26-27-28)32-10-15(30)22-18-16(17(21)31)24-29(25-18)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,21,31)(H,22,25,30)
InChIKey OERFVTGPLOLGOM-UHFFFAOYSA-N
Mol Weight 469.91 g/mol
Molecular Formula C19H16ClN9O2S
Exact Mass 469.08362 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Cbozu0Fiy
Name 5-[2-[[1-(3-chloranyl-4-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]-2-phenyl-1,2,3-triazole-4-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16ClN9O2S
InChI InChI=1S/C19H16ClN9O2S/c1-11-7-8-13(9-14(11)20)28-19(23-26-27-28)32-10-15(30)22-18-16(17(21)31)24-29(25-18)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,21,31)(H,22,25,30)
InChIKey OERFVTGPLOLGOM-UHFFFAOYSA-N
Molecular Weight 469.911 g/mol
SMILES NC(c1n[n](nc1NC(=O)CSc1[n](nnn1)-c1cc(Cl)c(cc1)C)-c1ccccc1)=O
SPLASH splash10-017i-7910000000-ff26914f4a6dc4d4d732
Synonyms 5-[[2-[1-(3-chloro-4-methyl-phenyl)tetrazol-5-yl]sulfanylacetyl]amino]-2-phenyl-triazole-4-carboxamide 5-[[2-[[1-(3-chloro-4-methyl-phenyl)tetrazol-5-yl]thio]acetyl]amino]-2-phenyl-triazole-4-carboxamide 5-[[2-[[1-(3-chloro-4-methylphenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]-2-phenyl-4-triazolecarboxamide
Wiley ID 1464247