2-(3-chlorophenyl)-4-(4-methylpentyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one

Systemtic Name: 2-(3-chlorophenyl)-4-(4-methylpentyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 2-(3-chlorophenyl)-4-isohexyl-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-(3-chlorophenyl)-4-(4-methylpentyl)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 2-(3-chlorophenyl)-4-(4-methylpentyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(3-chlorophenyl)-4-isohexyl-5-(4-mesylphenyl)pyridazin-3-one Formula: C23H25ClN2O3S MolecularWeight: 444.9742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC1=C(C=NN(C1=O)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)CCCC1=C(C=NN(C1=O)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C23H25ClN2O3S/c1-16(2)6-4-9-21-22(17-10-12-20(13-11-17)30(3,28)29)15-25-26(23(21)27)19-8-5-7-18(24)14-19/h5,7-8,10-16H,4,6,9H2,1-3H3