(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl) (1Z)-N-[(4-nitrophenyl)amino]-2-oxidanylidene-2-phenyl-ethanimidothioate

Systemtic Name: (5-pyridin-3-yl-1,3,4-oxadiazol-2-yl) (1Z)-N-[(4-nitrophenyl)amino]-2-oxidanylidene-2-phenyl-ethanimidothioate Openeye Name: [5-(3-pyridyl)-1,3,4-oxadiazol-2-yl] (1Z)-N-(4-nitroanilino)-2-oxo-2-phenyl-ethanimidothioate CAS Name: (1Z)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioic acid [5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl] ester IUPAC Name: (5-pyridin-3-yl-1,3,4-oxadiazol-2-yl) (1Z)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioate Traditional Name: (1Z)-2-keto-N-(4-nitroanilino)-2-phenyl-thioacetimidic acid [5-(3-pyridyl)-1,3,4-oxadiazol-2-yl] ester Formula: C21H14N6O4S MolecularWeight: 446.43866

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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=C(O3)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)/C(=N/NC2=CC=C(C=C2)[N+](=O)[O-])/SC3=NN=C(O3)C4=CN=CC=C4

InChI

InChI=1S/C21H14N6O4S/c28-18(14-5-2-1-3-6-14)20(25-23-16-8-10-17(11-9-16)27(29)30)32-21-26-24-19(31-21)15-7-4-12-22-13-15/h1-13,23H/b25-20-