N-cyclopropyl-2-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-cyclopropyl-2-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-cyclopropyl-2-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-cyclopropyl-2-[[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-cyclopropyl-2-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-cyclopropyl-2-[[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetamide Formula: C18H18F3N3O3S MolecularWeight: 413.41403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3CC3)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3CC3)C(F)(F)F)OC

InChI

InChI=1S/C18H18F3N3O3S/c1-26-13-6-3-10(7-14(13)27-2)12-8-15(18(19,20)21)24-17(23-12)28-9-16(25)22-11-4-5-11/h3,6-8,11H,4-5,9H2,1-2H3,(H,22,25)