2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-6-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-6-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-6-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-6-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-6-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-6-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)nicotinonitrile Formula: C28H26F3N3O5S MolecularWeight: 573.58335

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)OC

InChI

InChI=1S/C28H26F3N3O5S/c1-36-18-5-6-19(23(11-18)37-2)22-12-21(28(29,30)31)20(13-32)27(33-22)40-15-26(35)34-8-7-16-9-24(38-3)25(39-4)10-17(16)14-34/h5-6,9-12H,7-8,14-15H2,1-4H3