N-(4-methyl-3-sulfamoyl-phenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-(4-methyl-3-sulfamoyl-phenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-(4-methyl-3-sulfamoyl-phenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-(4-methyl-3-sulfamoylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-(4-methyl-3-sulfamoylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-(4-methyl-3-sulfamoyl-phenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C16H14N6O5S MolecularWeight: 402.38456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C16H14N6O5S/c1-10-2-4-12(7-15(10)28(17,26)27)20-16(23)11-3-5-13(14(6-11)22(24)25)21-9-18-8-19-21/h2-9H,1H3,(H,20,23)(H2,17,26,27)