6-(4-methoxyphenyl)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-(4-methoxyphenyl)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(4-methoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(4-methoxyphenyl)-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(4-methoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]-6-(4-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile Formula: C20H18F3N3O2S MolecularWeight: 421.43603

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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)N3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)N3CCCC3

InChI

InChI=1S/C20H18F3N3O2S/c1-28-14-6-4-13(5-7-14)17-10-16(20(21,22)23)15(11-24)19(25-17)29-12-18(27)26-8-2-3-9-26/h4-7,10H,2-3,8-9,12H2,1H3