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

Systemtic Name: 6-(4-methylphenyl)sulfanyl-2-[4-(4-pyridin-2-ylpiperazin-1-yl)carbonylphenyl]pyridazin-3-one Openeye Name: 6-(p-tolylsulfanyl)-2-[4-[4-(2-pyridyl)piperazine-1-carbonyl]phenyl]pyridazin-3-one CAS Name: 6-[(4-methylphenyl)thio]-2-[4-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]phenyl]-3-pyridazinone IUPAC Name: 6-(4-methylphenyl)sulfanyl-2-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]pyridazin-3-one Traditional Name: 6-(p-tolylthio)-2-[4-[4-(2-pyridyl)piperazine-1-carbonyl]phenyl]pyridazin-3-one Formula: C27H25N5O2S MolecularWeight: 483.5847

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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=CC=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=CC=CC=N5

InChI

InChI=1S/C27H25N5O2S/c1-20-5-11-23(12-6-20)35-25-13-14-26(33)32(29-25)22-9-7-21(8-10-22)27(34)31-18-16-30(17-19-31)24-4-2-3-15-28-24/h2-15H,16-19H2,1H3