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

Systemtic Name: 4-(cyclopropylmethoxy)-5-(4-methylsulfonylphenyl)-2-(phenylmethyl)pyridazin-3-one Openeye Name: 2-benzyl-4-(cyclopropylmethoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 4-(cyclopropylmethoxy)-5-(4-methylsulfonylphenyl)-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-4-(cyclopropylmethoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-benzyl-4-(cyclopropylmethoxy)-5-(4-mesylphenyl)pyridazin-3-one Formula: C22H22N2O4S MolecularWeight: 410.48608

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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)CC3=CC=CC=C3)OCC4CC4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)CC3=CC=CC=C3)OCC4CC4

InChI

InChI=1S/C22H22N2O4S/c1-29(26,27)19-11-9-18(10-12-19)20-13-23-24(14-16-5-3-2-4-6-16)22(25)21(20)28-15-17-7-8-17/h2-6,9-13,17H,7-8,14-15H2,1H3