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

Systemtic Name: (4,5-diphenyl-1,2,4-triazol-3-yl) (1E)-N-[(4-nitrophenyl)amino]-2-oxidanylidene-propanimidothioate Openeye Name: (4,5-diphenyl-1,2,4-triazol-3-yl) (1E)-N-(4-nitroanilino)-2-oxo-propanimidothioate CAS Name: (1E)-N-(4-nitroanilino)-2-oxopropanimidothioic 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-oxopropanimidothioate Traditional Name: (1E)-2-keto-N-(4-nitroanilino)thiopropionimidic acid (4,5-diphenyl-1,2,4-triazol-3-yl) ester Formula: C23H18N6O3S MolecularWeight: 458.49242

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=NNC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)/C(=N\NC1=CC=C(C=C1)[N+](=O)[O-])/SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H18N6O3S/c1-16(30)22(26-24-18-12-14-20(15-13-18)29(31)32)33-23-27-25-21(17-8-4-2-5-9-17)28(23)19-10-6-3-7-11-19/h2-15,24H,1H3/b26-22+