3-[2-[(2,4-dichlorophenyl)methylsulfanyl]pyrimidin-4-yl]-1-(4-methylphenyl)pyridazin-4-one

Systemtic Name: 3-[2-[(2,4-dichlorophenyl)methylsulfanyl]pyrimidin-4-yl]-1-(4-methylphenyl)pyridazin-4-one Openeye Name: 3-[2-[(2,4-dichlorophenyl)methylsulfanyl]pyrimidin-4-yl]-1-(p-tolyl)pyridazin-4-one CAS Name: 3-[2-[(2,4-dichlorophenyl)methylthio]-4-pyrimidinyl]-1-(4-methylphenyl)-4-pyridazinone IUPAC Name: 3-[2-[(2,4-dichlorophenyl)methylsulfanyl]pyrimidin-4-yl]-1-(4-methylphenyl)pyridazin-4-one Traditional Name: 3-[2-[(2,4-dichlorobenzyl)thio]pyrimidin-4-yl]-1-(p-tolyl)pyridazin-4-one Formula: C22H16Cl2N4OS MolecularWeight: 455.35964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C3=NC(=NC=C3)SCC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C3=NC(=NC=C3)SCC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H16Cl2N4OS/c1-14-2-6-17(7-3-14)28-11-9-20(29)21(27-28)19-8-10-25-22(26-19)30-13-15-4-5-16(23)12-18(15)24/h2-12H,13H2,1H3