N-(1-pyrimidin-2-ylpiperidin-4-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-pyrimidin-2-ylpiperidin-4-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-pyrimidin-2-yl-4-piperidyl)-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-[1-(2-pyrimidinyl)-4-piperidinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(1-pyrimidin-2-ylpiperidin-4-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-[1-(2-pyrimidyl)-4-piperidyl]-2-[[5-(trifluoromethyl)-2-pyridyl]thio]acetamide Formula: C17H18F3N5OS MolecularWeight: 397.41793

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)CSC2=NC=C(C=C2)C(F)(F)F)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCC1NC(=O)CSC2=NC=C(C=C2)C(F)(F)F)C3=NC=CC=N3

InChI

InChI=1S/C17H18F3N5OS/c18-17(19,20)12-2-3-15(23-10-12)27-11-14(26)24-13-4-8-25(9-5-13)16-21-6-1-7-22-16/h1-3,6-7,10,13H,4-5,8-9,11H2,(H,24,26)