[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl] (1E)-2-oxidanylidene-N-phenylazanyl-2-pyridin-4-yl-ethanimidothioate

Systemtic Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl] (1E)-2-oxidanylidene-N-phenylazanyl-2-pyridin-4-yl-ethanimidothioate Openeye Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl] (1E)-N-anilino-2-oxo-2-(4-pyridyl)ethanimidothioate CAS Name: (1E)-N-anilino-2-oxo-2-pyridin-4-ylethanimidothioic acid [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl] ester IUPAC Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl] (1E)-N-anilino-2-oxo-2-pyridin-4-ylethanimidothioate Traditional Name: (1E)-N-anilino-2-keto-2-(4-pyridyl)thioacetimidic acid [5-(4-nitrophenyl)-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)NN=C(C(=O)C2=CC=NC=C2)SC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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