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

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

Isomeric SMILES

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

InChI

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