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

Systemtic Name: (4,5-diphenyl-1,2,4-triazol-3-yl) (1Z)-N-[(3-nitrophenyl)amino]-2-oxidanylidene-propanimidothioate Openeye Name: (4,5-diphenyl-1,2,4-triazol-3-yl) (1Z)-N-(3-nitroanilino)-2-oxo-propanimidothioate CAS Name: (1Z)-N-(3-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) (1Z)-N-(3-nitroanilino)-2-oxopropanimidothioate Traditional Name: (1Z)-2-keto-N-(3-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(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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