N-(4-acetamidophenyl)-5-nitro-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzamide

Systemtic Name: N-(4-acetamidophenyl)-5-nitro-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzamide Openeye Name: N-(4-acetamidophenyl)-5-nitro-2-(1-phenyltetrazol-5-yl)sulfanyl-benzamide CAS Name: N-(4-acetamidophenyl)-5-nitro-2-[(1-phenyl-5-tetrazolyl)thio]benzamide IUPAC Name: N-(4-acetamidophenyl)-5-nitro-2-(1-phenyltetrazol-5-yl)sulfanylbenzamide Traditional Name: N-(4-acetamidophenyl)-5-nitro-2-[(1-phenyltetrazol-5-yl)thio]benzamide Formula: C22H17N7O4S MolecularWeight: 475.47988

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C22H17N7O4S/c1-14(30)23-15-7-9-16(10-8-15)24-21(31)19-13-18(29(32)33)11-12-20(19)34-22-25-26-27-28(22)17-5-3-2-4-6-17/h2-13H,1H3,(H,23,30)(H,24,31)