6-(3,4-dimethoxyphenyl)-2-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-(3,4-dimethoxyphenyl)-2-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(3,4-dimethoxyphenyl)-2-(3-oxo-3-pyrrolidin-1-yl-propyl)sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(3,4-dimethoxyphenyl)-2-[[3-oxo-3-(1-pyrrolidinyl)propyl]thio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(3,4-dimethoxyphenyl)-2-(3-oxo-3-pyrrolidin-1-ylpropyl)sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-(3,4-dimethoxyphenyl)-2-[(3-keto-3-pyrrolidino-propyl)thio]-4-(trifluoromethyl)nicotinonitrile Formula: C22H22F3N3O3S MolecularWeight: 465.48859

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCCC(=O)N3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCCC(=O)N3CCCC3)OC

InChI

InChI=1S/C22H22F3N3O3S/c1-30-18-6-5-14(11-19(18)31-2)17-12-16(22(23,24)25)15(13-26)21(27-17)32-10-7-20(29)28-8-3-4-9-28/h5-6,11-12H,3-4,7-10H2,1-2H3