N-(4-methylphenyl)-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide

Systemtic Name: N-(4-methylphenyl)-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide Openeye Name: 5-nitro-N-(p-tolyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide CAS Name: N-(4-methylphenyl)-5-nitro-2-(1H-1,2,4-triazol-5-ylthio)benzamide IUPAC Name: N-(4-methylphenyl)-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide Traditional Name: 5-nitro-N-(p-tolyl)-2-(1H-1,2,4-triazol-5-ylthio)benzamide Formula: C16H13N5O3S MolecularWeight: 355.37112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC=NN3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC=NN3

InChI

InChI=1S/C16H13N5O3S/c1-10-2-4-11(5-3-10)19-15(22)13-8-12(21(23)24)6-7-14(13)25-16-17-9-18-20-16/h2-9H,1H3,(H,19,22)(H,17,18,20)