5-(4-methylsulfonylphenyl)-2-(phenylmethyl)-4-[4-(trifluoromethyl)phenyl]pyridazin-3-one

Systemtic Name: 5-(4-methylsulfonylphenyl)-2-(phenylmethyl)-4-[4-(trifluoromethyl)phenyl]pyridazin-3-one Openeye Name: 2-benzyl-5-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]pyridazin-3-one CAS Name: 5-(4-methylsulfonylphenyl)-2-(phenylmethyl)-4-[4-(trifluoromethyl)phenyl]-3-pyridazinone IUPAC Name: 2-benzyl-5-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]pyridazin-3-one Traditional Name: 2-benzyl-5-(4-mesylphenyl)-4-[4-(trifluoromethyl)phenyl]pyridazin-3-one Formula: C25H19F3N2O3S MolecularWeight: 484.49017

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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)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)CC3=CC=CC=C3)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C25H19F3N2O3S/c1-34(32,33)21-13-9-18(10-14-21)22-15-29-30(16-17-5-3-2-4-6-17)24(31)23(22)19-7-11-20(12-8-19)25(26,27)28/h2-15H,16H2,1H3