1-(azepan-1-yl)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]ethanone Formula: C17H18F3N3O2S MolecularWeight: 385.40393

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3

InChI

InChI=1S/C17H18F3N3O2S/c18-17(19,20)14-10-12(13-6-5-9-25-13)21-16(22-14)26-11-15(24)23-7-3-1-2-4-8-23/h5-6,9-10H,1-4,7-8,11H2