[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxylate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 1-benzyl-6-oxo-pyridazine-3-carboxylate CAS Name: 6-oxo-1-(phenylmethyl)-3-pyridazinecarboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 1-benzyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-benzyl-6-keto-pyridazine-3-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C=CC(=N2)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C=CC(=N2)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C22H18N4O4S/c23-12-13-31-19-9-5-4-8-17(19)24-20(27)15-30-22(29)18-10-11-21(28)26(25-18)14-16-6-2-1-3-7-16/h1-11H,13-15H2,(H,24,27)