2-(4-methylphenyl)sulfanylethyl 6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxylate

Systemtic Name: 2-(4-methylphenyl)sulfanylethyl 6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxylate Openeye Name: 2-(p-tolylsulfanyl)ethyl 1-benzyl-6-oxo-pyridazine-3-carboxylate CAS Name: 6-oxo-1-(phenylmethyl)-3-pyridazinecarboxylic acid 2-[(4-methylphenyl)thio]ethyl ester IUPAC Name: 2-(4-methylphenyl)sulfanylethyl 1-benzyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-benzyl-6-keto-pyridazine-3-carboxylic acid 2-(p-tolylthio)ethyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCOC(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SCCOC(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3S/c1-16-7-9-18(10-8-16)27-14-13-26-21(25)19-11-12-20(24)23(22-19)15-17-5-3-2-4-6-17/h2-12H,13-15H2,1H3