methyl 1-(4-chlorophenyl)-4-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: methyl 1-(4-chlorophenyl)-4-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: methyl 1-(4-chlorophenyl)-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-6-oxo-pyridazine-3-carboxylate CAS Name: 1-(4-chlorophenyl)-4-[(1-oxido-2-pyridin-1-iumyl)thio]-6-oxo-3-pyridazinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-chlorophenyl)-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-(4-chlorophenyl)-6-keto-4-[(1-oxidopyridin-1-ium-2-yl)thio]pyridazine-3-carboxylic acid methyl ester Formula: C17H12ClN3O4S MolecularWeight: 389.81288

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=O)C=C1SC2=CC=CC=[N+]2[O-])C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=NN(C(=O)C=C1SC2=CC=CC=[N+]2[O-])C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H12ClN3O4S/c1-25-17(23)16-13(26-15-4-2-3-9-20(15)24)10-14(22)21(19-16)12-7-5-11(18)6-8-12/h2-10H,1H3