1-(1H-imidazol-2-yl)-3-(4-methylsulfonylphenyl)-4-(trifluoromethyl)isoquinoline

Systemtic Name: 1-(1H-imidazol-2-yl)-3-(4-methylsulfonylphenyl)-4-(trifluoromethyl)isoquinoline Openeye Name: 1-(1H-imidazol-2-yl)-3-(4-methylsulfonylphenyl)-4-(trifluoromethyl)isoquinoline CAS Name: 1-(1H-imidazol-2-yl)-3-(4-methylsulfonylphenyl)-4-(trifluoromethyl)isoquinoline IUPAC Name: 1-(1H-imidazol-2-yl)-3-(4-methylsulfonylphenyl)-4-(trifluoromethyl)isoquinoline Traditional Name: 1-(1H-imidazol-2-yl)-3-(4-mesylphenyl)-4-(trifluoromethyl)isoquinoline Formula: C20H14F3N3O2S MolecularWeight: 417.40427

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C(=N2)C4=NC=CN4)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C(=N2)C4=NC=CN4)C(F)(F)F

InChI

InChI=1S/C20H14F3N3O2S/c1-29(27,28)13-8-6-12(7-9-13)17-16(20(21,22)23)14-4-2-3-5-15(14)18(26-17)19-24-10-11-25-19/h2-11H,1H3,(H,24,25)