[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 6-oxidanylidene-1-phenyl-4,5-dihydropyridazine-3-carboxylate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 6-oxidanylidene-1-phenyl-4,5-dihydropyridazine-3-carboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate CAS Name: 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate Traditional Name: 6-keto-1-phenyl-4,5-dihydropyridazine-3-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(N=C1C(=O)OCC(=O)NC2=CC=CC=C2SCC#N)C3=CC=CC=C3

Isomeric SMILES

C1CC(=O)N(N=C1C(=O)OCC(=O)NC2=CC=CC=C2SCC#N)C3=CC=CC=C3

InChI

InChI=1S/C21H18N4O4S/c22-12-13-30-18-9-5-4-8-16(18)23-19(26)14-29-21(28)17-10-11-20(27)25(24-17)15-6-2-1-3-7-15/h1-9H,10-11,13-14H2,(H,23,26)