5-methoxy-2-(4-methylphenyl)-4-(phenylmethylsulfanyl)pyridazin-3-one

Systemtic Name: 5-methoxy-2-(4-methylphenyl)-4-(phenylmethylsulfanyl)pyridazin-3-one Openeye Name: 4-benzylsulfanyl-5-methoxy-2-(p-tolyl)pyridazin-3-one CAS Name: 5-methoxy-2-(4-methylphenyl)-4-(phenylmethylthio)-3-pyridazinone IUPAC Name: 4-benzylsulfanyl-5-methoxy-2-(4-methylphenyl)pyridazin-3-one Traditional Name: 4-(benzylthio)-5-methoxy-2-(p-tolyl)pyridazin-3-one Formula: C19H18N2O2S MolecularWeight: 338.42342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=C(C=N2)OC)SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=C(C=N2)OC)SCC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O2S/c1-14-8-10-16(11-9-14)21-19(22)18(17(23-2)12-20-21)24-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3