2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-1-pyrrolidino-ethanone Formula: C18H18F3N3O2S MolecularWeight: 397.41463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)N3CCCC3)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)N3CCCC3)C(F)(F)F

InChI

InChI=1S/C18H18F3N3O2S/c1-26-13-6-4-12(5-7-13)14-10-15(18(19,20)21)23-17(22-14)27-11-16(25)24-8-2-3-9-24/h4-7,10H,2-3,8-9,11H2,1H3