N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-[2-methyl-4-(1-pyrrolidinyl)phenyl]-2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(2-methyl-4-pyrrolidino-phenyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]acetamide Formula: C18H19F3N4OS MolecularWeight: 396.42987

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CSC3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CSC3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C18H19F3N4OS/c1-12-10-13(25-8-2-3-9-25)4-5-14(12)23-16(26)11-27-17-22-7-6-15(24-17)18(19,20)21/h4-7,10H,2-3,8-9,11H2,1H3,(H,23,26)