4-(2,3-dihydro-1-benzofuran-2-yl)-5-(4-methylsulfonylphenyl)-2-(phenylmethyl)pyridazin-3-one

Systemtic Name: 4-(2,3-dihydro-1-benzofuran-2-yl)-5-(4-methylsulfonylphenyl)-2-(phenylmethyl)pyridazin-3-one Openeye Name: 2-benzyl-4-(2,3-dihydrobenzofuran-2-yl)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 4-(2,3-dihydrobenzofuran-2-yl)-5-(4-methylsulfonylphenyl)-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-4-(2,3-dihydro-1-benzofuran-2-yl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-benzyl-4-coumaran-2-yl-5-(4-mesylphenyl)pyridazin-3-one Formula: C26H22N2O4S MolecularWeight: 458.52888

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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)C4CC5=CC=CC=C5O4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)CC3=CC=CC=C3)C4CC5=CC=CC=C5O4

InChI

InChI=1S/C26H22N2O4S/c1-33(30,31)21-13-11-19(12-14-21)22-16-27-28(17-18-7-3-2-4-8-18)26(29)25(22)24-15-20-9-5-6-10-23(20)32-24/h2-14,16,24H,15,17H2,1H3