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

Systemtic Name: 4-chloranyl-2-(4-methylphenyl)-5-(phenylmethylsulfanyl)pyridazin-3-one Openeye Name: 5-benzylsulfanyl-4-chloro-2-(p-tolyl)pyridazin-3-one CAS Name: 4-chloro-2-(4-methylphenyl)-5-(phenylmethylthio)-3-pyridazinone IUPAC Name: 5-benzylsulfanyl-4-chloro-2-(4-methylphenyl)pyridazin-3-one Traditional Name: 5-(benzylthio)-4-chloro-2-(p-tolyl)pyridazin-3-one Formula: C18H15ClN2OS MolecularWeight: 342.8425

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN2OS/c1-13-7-9-15(10-8-13)21-18(22)17(19)16(11-20-21)23-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3