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

Systemtic Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl] (1E)-2-oxidanylidene-N-phenylazanyl-2-pyridin-3-yl-ethanimidothioate Openeye Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl] (1E)-N-anilino-2-oxo-2-(3-pyridyl)ethanimidothioate CAS Name: (1E)-N-anilino-2-oxo-2-(3-pyridinyl)ethanimidothioic 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-3-ylethanimidothioate Traditional Name: (1E)-N-anilino-2-keto-2-(3-pyridyl)thioacetimidic acid [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl] ester Formula: C21H14N6O4S MolecularWeight: 446.43866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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