6-(4-methylphenyl)sulfanyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]pyridazin-3-one

Systemtic Name: 6-(4-methylphenyl)sulfanyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]pyridazin-3-one Openeye Name: 6-(p-tolylsulfanyl)-2-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]pyridazin-3-one CAS Name: 6-[(4-methylphenyl)thio]-2-[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]-3-pyridazinone IUPAC Name: 6-(4-methylphenyl)sulfanyl-2-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]pyridazin-3-one Traditional Name: 6-(p-tolylthio)-2-[4-[4-(2-pyrimidyl)piperazine-1-carbonyl]phenyl]pyridazin-3-one Formula: C26H24N6O2S MolecularWeight: 484.57276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NN(C(=O)C=C2)C3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NN(C(=O)C=C2)C3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C26H24N6O2S/c1-19-3-9-22(10-4-19)35-23-11-12-24(33)32(29-23)21-7-5-20(6-8-21)25(34)30-15-17-31(18-16-30)26-27-13-2-14-28-26/h2-14H,15-18H2,1H3