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

Systemtic Name: N-cycloheptyl-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-cycloheptyl-2-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-cycloheptyl-2-[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-cycloheptyl-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-cycloheptyl-2-[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetamide Formula: C18H20F3N3O2S MolecularWeight: 399.43051

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3

Isomeric SMILES

C1CCCC(CC1)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3

InChI

InChI=1S/C18H20F3N3O2S/c19-18(20,21)15-10-13(14-8-5-9-26-14)23-17(24-15)27-11-16(25)22-12-6-3-1-2-4-7-12/h5,8-10,12H,1-4,6-7,11H2,(H,22,25)