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

Systemtic Name: ethyl 6-oxidanylidene-1-phenyl-4-(3-phenylsulfanylpropanoylamino)pyridazine-3-carboxylate Openeye Name: ethyl 6-oxo-1-phenyl-4-(3-phenylsulfanylpropanoylamino)pyridazine-3-carboxylate CAS Name: 6-oxo-4-[[1-oxo-3-(phenylthio)propyl]amino]-1-phenyl-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-oxo-1-phenyl-4-(3-phenylsulfanylpropanoylamino)pyridazine-3-carboxylate Traditional Name: 6-keto-1-phenyl-4-[3-(phenylthio)propanoylamino]pyridazine-3-carboxylic acid ethyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4S/c1-2-29-22(28)21-18(15-20(27)25(24-21)16-9-5-3-6-10-16)23-19(26)13-14-30-17-11-7-4-8-12-17/h3-12,15H,2,13-14H2,1H3,(H,23,26)