ethyl 1-(4-methylphenyl)-6-oxidanylidene-4-[2-(phenylmethylsulfanyl)ethanoylamino]pyridazine-3-carboxylate

Systemtic Name: ethyl 1-(4-methylphenyl)-6-oxidanylidene-4-[2-(phenylmethylsulfanyl)ethanoylamino]pyridazine-3-carboxylate Openeye Name: ethyl 4-[(2-benzylsulfanylacetyl)amino]-6-oxo-1-(p-tolyl)pyridazine-3-carboxylate CAS Name: 1-(4-methylphenyl)-6-oxo-4-[[1-oxo-2-(phenylmethylthio)ethyl]amino]-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-benzylsulfanylacetyl)amino]-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-[[2-(benzylthio)acetyl]amino]-6-keto-1-(p-tolyl)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)CSCC2=CC=CC=C2)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)CSCC2=CC=CC=C2)C3=CC=C(C=C3)C

InChI

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