methyl 1-(4-chlorophenyl)-6-oxidanylidene-4-pyrimidin-2-ylsulfanyl-pyridazine-3-carboxylate

Systemtic Name: methyl 1-(4-chlorophenyl)-6-oxidanylidene-4-pyrimidin-2-ylsulfanyl-pyridazine-3-carboxylate Openeye Name: methyl 1-(4-chlorophenyl)-6-oxo-4-pyrimidin-2-ylsulfanyl-pyridazine-3-carboxylate CAS Name: 1-(4-chlorophenyl)-6-oxo-4-(2-pyrimidinylthio)-3-pyridazinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-chlorophenyl)-6-oxo-4-pyrimidin-2-ylsulfanylpyridazine-3-carboxylate Traditional Name: 1-(4-chlorophenyl)-6-keto-4-(2-pyrimidylthio)pyridazine-3-carboxylic acid methyl ester Formula: C16H11ClN4O3S MolecularWeight: 374.80154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=O)C=C1SC2=NC=CC=N2)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=NN(C(=O)C=C1SC2=NC=CC=N2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H11ClN4O3S/c1-24-15(23)14-12(25-16-18-7-2-8-19-16)9-13(22)21(20-14)11-5-3-10(17)4-6-11/h2-9H,1H3