5-[4-[(4-fluoranyl-3-methyl-phenyl)methyl]piperazin-1-yl]-2-phenyl-4-propan-2-ylsulfanyl-pyridazin-3-one

Systemtic Name: 5-[4-[(4-fluoranyl-3-methyl-phenyl)methyl]piperazin-1-yl]-2-phenyl-4-propan-2-ylsulfanyl-pyridazin-3-one Openeye Name: 5-[4-[(4-fluoro-3-methyl-phenyl)methyl]piperazin-1-yl]-4-isopropylsulfanyl-2-phenyl-pyridazin-3-one CAS Name: 5-[4-[(4-fluoro-3-methylphenyl)methyl]-1-piperazinyl]-2-phenyl-4-(propan-2-ylthio)-3-pyridazinone IUPAC Name: 5-[4-[(4-fluoro-3-methylphenyl)methyl]piperazin-1-yl]-2-phenyl-4-propan-2-ylsulfanylpyridazin-3-one Traditional Name: 5-[4-(4-fluoro-3-methyl-benzyl)piperazino]-4-(isopropylthio)-2-phenyl-pyridazin-3-one Formula: C25H29FN4OS MolecularWeight: 452.587363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)SC(C)C)F

Isomeric SMILES

CC1=C(C=CC(=C1)CN2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)SC(C)C)F

InChI

InChI=1S/C25H29FN4OS/c1-18(2)32-24-23(16-27-30(25(24)31)21-7-5-4-6-8-21)29-13-11-28(12-14-29)17-20-9-10-22(26)19(3)15-20/h4-10,15-16,18H,11-14,17H2,1-3H3