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

Systemtic Name: 3-[2-[(3-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]-1-(4-methylphenyl)pyridazin-4-one Openeye Name: 3-[2-[(3-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]-1-(p-tolyl)pyridazin-4-one CAS Name: 3-[2-[(3-chlorophenyl)methylthio]-4-pyrimidinyl]-1-(4-methylphenyl)-4-pyridazinone IUPAC Name: 3-[2-[(3-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]-1-(4-methylphenyl)pyridazin-4-one Traditional Name: 3-[2-[(3-chlorobenzyl)thio]pyrimidin-4-yl]-1-(p-tolyl)pyridazin-4-one Formula: C22H17ClN4OS MolecularWeight: 420.91458

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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=CC(=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H17ClN4OS/c1-15-5-7-18(8-6-15)27-12-10-20(28)21(26-27)19-9-11-24-22(25-19)29-14-16-3-2-4-17(23)13-16/h2-13H,14H2,1H3