(1-phenyl-1,2,3,4-tetrazol-5-yl) (1E)-N-[(2-nitrophenyl)amino]-2-oxidanylidene-propanimidothioate

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl) (1E)-N-[(2-nitrophenyl)amino]-2-oxidanylidene-propanimidothioate Openeye Name: (1-phenyltetrazol-5-yl) (1E)-N-(2-nitroanilino)-2-oxo-propanimidothioate CAS Name: (1E)-N-(2-nitroanilino)-2-oxopropanimidothioic acid (1-phenyl-5-tetrazolyl) ester IUPAC Name: (1-phenyltetrazol-5-yl) (1E)-N-(2-nitroanilino)-2-oxopropanimidothioate Traditional Name: (1E)-2-keto-N-(2-nitroanilino)thiopropionimidic acid (1-phenyltetrazol-5-yl) ester Formula: C16H13N7O3S MolecularWeight: 383.38452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=NNC1=CC=CC=C1[N+](=O)[O-])SC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC(=O)/C(=N\NC1=CC=CC=C1[N+](=O)[O-])/SC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C16H13N7O3S/c1-11(24)15(18-17-13-9-5-6-10-14(13)23(25)26)27-16-19-20-21-22(16)12-7-3-2-4-8-12/h2-10,17H,1H3/b18-15+