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

Systemtic Name: 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-6-methyl-2-sulfanylidene-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-6-methyl-2-thioxo-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-methyl-2-sulfanylidene-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-methyl-2-sulfanylidene-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-6-methyl-2-thioxo-4-(trifluoromethyl)nicotinonitrile Formula: C21H20F3N3O3S MolecularWeight: 451.46201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=S)N1CC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)C#N)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C(=S)N1CC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)C#N)C(F)(F)F

InChI

InChI=1S/C21H20F3N3O3S/c1-12-6-16(21(22,23)24)15(9-25)20(31)27(12)11-19(28)26-5-4-13-7-17(29-2)18(30-3)8-14(13)10-26/h6-8H,4-5,10-11H2,1-3H3