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

Systemtic Name: 2-(3-chlorophenyl)-4-(cyclopropylmethoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 2-(3-chlorophenyl)-4-(cyclopropylmethoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-(3-chlorophenyl)-4-(cyclopropylmethoxy)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 2-(3-chlorophenyl)-4-(cyclopropylmethoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(3-chlorophenyl)-4-(cyclopropylmethoxy)-5-(4-mesylphenyl)pyridazin-3-one Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)C3=CC(=CC=C3)Cl)OCC4CC4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)C3=CC(=CC=C3)Cl)OCC4CC4

InChI

InChI=1S/C21H19ClN2O4S/c1-29(26,27)18-9-7-15(8-10-18)19-12-23-24(17-4-2-3-16(22)11-17)21(25)20(19)28-13-14-5-6-14/h2-4,7-12,14H,5-6,13H2,1H3