5-(3-fluoranyl-4-methylsulfanyl-phenyl)-4-(3-methylbutyl)-2-(phenylmethyl)pyridazin-3-one

Systemtic Name: 5-(3-fluoranyl-4-methylsulfanyl-phenyl)-4-(3-methylbutyl)-2-(phenylmethyl)pyridazin-3-one Openeye Name: 2-benzyl-5-(3-fluoro-4-methylsulfanyl-phenyl)-4-isopentyl-pyridazin-3-one CAS Name: 5-[3-fluoro-4-(methylthio)phenyl]-4-(3-methylbutyl)-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-5-(3-fluoro-4-methylsulfanylphenyl)-4-(3-methylbutyl)pyridazin-3-one Traditional Name: 2-benzyl-5-[3-fluoro-4-(methylthio)phenyl]-4-isoamyl-pyridazin-3-one Formula: C23H25FN2OS MolecularWeight: 396.520803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(C=NN(C1=O)CC2=CC=CC=C2)C3=CC(=C(C=C3)SC)F

Isomeric SMILES

CC(C)CCC1=C(C=NN(C1=O)CC2=CC=CC=C2)C3=CC(=C(C=C3)SC)F

InChI

InChI=1S/C23H25FN2OS/c1-16(2)9-11-19-20(18-10-12-22(28-3)21(24)13-18)14-25-26(23(19)27)15-17-7-5-4-6-8-17/h4-8,10,12-14,16H,9,11,15H2,1-3H3