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

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl) (1E)-N-[(4-nitrophenyl)amino]-2-oxidanylidene-2-phenyl-ethanimidothioate Openeye Name: (1-phenyltetrazol-5-yl) (1E)-N-(4-nitroanilino)-2-oxo-2-phenyl-ethanimidothioate CAS Name: (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioic acid (1-phenyl-5-tetrazolyl) ester IUPAC Name: (1-phenyltetrazol-5-yl) (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioate Traditional Name: (1E)-2-keto-N-(4-nitroanilino)-2-phenyl-thioacetimidic acid (1-phenyltetrazol-5-yl) ester Formula: C21H15N7O3S MolecularWeight: 445.4539

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(=NNC2=CC=C(C=C2)[N+](=O)[O-])SC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)/C(=N\NC2=CC=C(C=C2)[N+](=O)[O-])/SC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H15N7O3S/c29-19(15-7-3-1-4-8-15)20(23-22-16-11-13-18(14-12-16)28(30)31)32-21-24-25-26-27(21)17-9-5-2-6-10-17/h1-14,22H/b23-20+