N-cycloheptyl-3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide

Systemtic Name: N-cycloheptyl-3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: N-cycloheptyl-3-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide CAS Name: N-cycloheptyl-3-[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanamide IUPAC Name: N-cycloheptyl-3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide Traditional Name: N-cycloheptyl-3-[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionamide Formula: C19H22F3N3O2S MolecularWeight: 413.45709

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3

Isomeric SMILES

C1CCCC(CC1)NC(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3

InChI

InChI=1S/C19H22F3N3O2S/c20-19(21,22)16-12-14(15-8-5-10-27-15)24-18(25-16)28-11-9-17(26)23-13-6-3-1-2-4-7-13/h5,8,10,12-13H,1-4,6-7,9,11H2,(H,23,26)