4-[5-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,3,4-tetrazol-1-yl]benzamide

Systemtic Name: 4-[5-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,3,4-tetrazol-1-yl]benzamide Openeye Name: 4-[5-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyltetrazol-1-yl]benzamide CAS Name: 4-[5-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-1-tetrazolyl]benzamide IUPAC Name: 4-[5-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyltetrazol-1-yl]benzamide Traditional Name: 4-[5-[[2-keto-2-(4-nitrophenyl)ethyl]thio]tetrazol-1-yl]benzamide Formula: C16H12N6O4S MolecularWeight: 384.36928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N)N2C(=NN=N2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)N)N2C(=NN=N2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N6O4S/c17-15(24)11-3-5-12(6-4-11)21-16(18-19-20-21)27-9-14(23)10-1-7-13(8-2-10)22(25)26/h1-8H,9H2,(H2,17,24)