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

Systemtic Name: 1-(4-fluorophenyl)-3-[2-[(4-methylphenyl)methylsulfanyl]pyrimidin-4-yl]pyridazin-4-one Openeye Name: 1-(4-fluorophenyl)-3-[2-(p-tolylmethylsulfanyl)pyrimidin-4-yl]pyridazin-4-one CAS Name: 1-(4-fluorophenyl)-3-[2-[(4-methylphenyl)methylthio]-4-pyrimidinyl]-4-pyridazinone IUPAC Name: 1-(4-fluorophenyl)-3-[2-[(4-methylphenyl)methylsulfanyl]pyrimidin-4-yl]pyridazin-4-one Traditional Name: 1-(4-fluorophenyl)-3-[2-[(4-methylbenzyl)thio]pyrimidin-4-yl]pyridazin-4-one Formula: C22H17FN4OS MolecularWeight: 404.459983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC=CC(=N2)C3=NN(C=CC3=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC=CC(=N2)C3=NN(C=CC3=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H17FN4OS/c1-15-2-4-16(5-3-15)14-29-22-24-12-10-19(25-22)21-20(28)11-13-27(26-21)18-8-6-17(23)7-9-18/h2-13H,14H2,1H3