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

Systemtic Name: 2-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-4-phenethyl-pyridazin-3-one Openeye Name: 2-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-4-phenethyl-pyridazin-3-one CAS Name: 2-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-4-phenethyl-3-pyridazinone IUPAC Name: 2-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-4-phenethylpyridazin-3-one Traditional Name: 2-(3-chlorophenyl)-5-(4-mesylphenyl)-4-phenethyl-pyridazin-3-one Formula: C25H21ClN2O3S MolecularWeight: 464.96384

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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)CCC4=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)CCC4=CC=CC=C4

InChI

InChI=1S/C25H21ClN2O3S/c1-32(30,31)22-13-11-19(12-14-22)24-17-27-28(21-9-5-8-20(26)16-21)25(29)23(24)15-10-18-6-3-2-4-7-18/h2-9,11-14,16-17H,10,15H2,1H3