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

Systemtic Name: (4,5-diphenyl-1,2,4-triazol-3-yl) (1E)-N-[(4-nitrophenyl)amino]-2-oxidanylidene-2-phenyl-ethanimidothioate Openeye Name: (4,5-diphenyl-1,2,4-triazol-3-yl) (1E)-N-(4-nitroanilino)-2-oxo-2-phenyl-ethanimidothioate CAS Name: (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioic acid (4,5-diphenyl-1,2,4-triazol-3-yl) ester IUPAC Name: (4,5-diphenyl-1,2,4-triazol-3-yl) (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioate Traditional Name: (1E)-2-keto-N-(4-nitroanilino)-2-phenyl-thioacetimidic acid (4,5-diphenyl-1,2,4-triazol-3-yl) ester Formula: C28H20N6O3S MolecularWeight: 520.5618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SC(=NNC4=CC=C(C=C4)[N+](=O)[O-])C(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)S/C(=N/NC4=CC=C(C=C4)[N+](=O)[O-])/C(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H20N6O3S/c35-25(20-10-4-1-5-11-20)27(31-29-22-16-18-24(19-17-22)34(36)37)38-28-32-30-26(21-12-6-2-7-13-21)33(28)23-14-8-3-9-15-23/h1-19,29H/b31-27+