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

Systemtic Name: 2-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-4-(phenylmethylsulfanyl)pyridazin-3-one Openeye Name: 4-benzylsulfanyl-2-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-4-(phenylmethylthio)-3-pyridazinone IUPAC Name: 4-benzylsulfanyl-2-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 4-(benzylthio)-2-(3-chlorophenyl)-5-(4-mesylphenyl)pyridazin-3-one Formula: C24H19ClN2O3S2 MolecularWeight: 483.00226

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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)SCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)C3=CC(=CC=C3)Cl)SCC4=CC=CC=C4

InChI

InChI=1S/C24H19ClN2O3S2/c1-32(29,30)21-12-10-18(11-13-21)22-15-26-27(20-9-5-8-19(25)14-20)24(28)23(22)31-16-17-6-3-2-4-7-17/h2-15H,16H2,1H3