6-(4-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-(4-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(4-methoxyphenyl)-2-(2-morpholino-2-oxo-ethyl)sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(4-methoxyphenyl)-2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(4-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(2-keto-2-morpholino-ethyl)thio]-6-(4-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile Formula: C20H18F3N3O3S MolecularWeight: 437.43543

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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)N3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)N3CCOCC3

InChI

InChI=1S/C20H18F3N3O3S/c1-28-14-4-2-13(3-5-14)17-10-16(20(21,22)23)15(11-24)19(25-17)30-12-18(27)26-6-8-29-9-7-26/h2-5,10H,6-9,12H2,1H3