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

Systemtic Name: 4-[[1-(3-acetamidophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-3-nitro-benzamide Openeye Name: 4-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[1-(3-acetamidophenyl)-5-tetrazolyl]thio]-3-nitrobenzamide IUPAC Name: 4-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[1-(3-acetamidophenyl)tetrazol-5-yl]thio]-3-nitro-benzamide Formula: C16H13N7O4S MolecularWeight: 399.38392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C(=NN=N2)SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C(=NN=N2)SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H13N7O4S/c1-9(24)18-11-3-2-4-12(8-11)22-16(19-20-21-22)28-14-6-5-10(15(17)25)7-13(14)23(26)27/h2-8H,1H3,(H2,17,25)(H,18,24)