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

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

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