ethyl 1-(2-methylphenyl)-6-oxidanylidene-4-(3-phenylsulfanylpropanoylamino)pyridazine-3-carboxylate

Systemtic Name: ethyl 1-(2-methylphenyl)-6-oxidanylidene-4-(3-phenylsulfanylpropanoylamino)pyridazine-3-carboxylate Openeye Name: ethyl 1-(o-tolyl)-6-oxo-4-(3-phenylsulfanylpropanoylamino)pyridazine-3-carboxylate CAS Name: 1-(2-methylphenyl)-6-oxo-4-[[1-oxo-3-(phenylthio)propyl]amino]-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-methylphenyl)-6-oxo-4-(3-phenylsulfanylpropanoylamino)pyridazine-3-carboxylate Traditional Name: 6-keto-1-(o-tolyl)-4-[3-(phenylthio)propanoylamino]pyridazine-3-carboxylic acid ethyl ester Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)CCSC2=CC=CC=C2)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)CCSC2=CC=CC=C2)C3=CC=CC=C3C

InChI

InChI=1S/C23H23N3O4S/c1-3-30-23(29)22-18(24-20(27)13-14-31-17-10-5-4-6-11-17)15-21(28)26(25-22)19-12-8-7-9-16(19)2/h4-12,15H,3,13-14H2,1-2H3,(H,24,27)