2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-6-(2-thienyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[[2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl]thio]-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-[(3S)-3-methylpiperidino]ethyl]thio]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile Formula: C19H18F3N3OS2 MolecularWeight: 425.49093

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N

InChI

InChI=1S/C19H18F3N3OS2/c1-12-4-2-6-25(10-12)17(26)11-28-18-13(9-23)14(19(20,21)22)8-15(24-18)16-5-3-7-27-16/h3,5,7-8,12H,2,4,6,10-11H2,1H3/t12-/m0/s1