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

Systemtic Name: 2-(3-chlorophenyl)-4-(4-methylpentoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 2-(3-chlorophenyl)-4-isohexyloxy-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-(3-chlorophenyl)-4-(4-methylpentoxy)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 2-(3-chlorophenyl)-4-(4-methylpentoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(3-chlorophenyl)-4-isohexyloxy-5-(4-mesylphenyl)pyridazin-3-one Formula: C23H25ClN2O4S MolecularWeight: 460.9736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC1=C(C=NN(C1=O)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)CCCOC1=C(C=NN(C1=O)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C23H25ClN2O4S/c1-16(2)6-5-13-30-22-21(17-9-11-20(12-10-17)31(3,28)29)15-25-26(23(22)27)19-8-4-7-18(24)14-19/h4,7-12,14-16H,5-6,13H2,1-3H3