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

Systemtic Name: 3-nitro-N-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoyl]benzamide Openeye Name: 3-nitro-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]benzamide CAS Name: 3-nitro-N-[1-oxo-2-[(1-phenyl-5-tetrazolyl)thio]ethyl]benzamide IUPAC Name: 3-nitro-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]benzamide Traditional Name: 3-nitro-N-[2-[(1-phenyltetrazol-5-yl)thio]acetyl]benzamide Formula: C16H12N6O4S MolecularWeight: 384.36928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N6O4S/c23-14(17-15(24)11-5-4-8-13(9-11)22(25)26)10-27-16-18-19-20-21(16)12-6-2-1-3-7-12/h1-9H,10H2,(H,17,23,24)