N-cyclopropyl-3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide

Systemtic Name: N-cyclopropyl-3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: N-cyclopropyl-3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide CAS Name: N-cyclopropyl-3-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanamide IUPAC Name: N-cyclopropyl-3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide Traditional Name: N-cyclopropyl-3-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionamide Formula: C18H18F3N3O2S MolecularWeight: 397.41463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18F3N3O2S/c1-26-13-6-2-11(3-7-13)14-10-15(18(19,20)21)24-17(23-14)27-9-8-16(25)22-12-4-5-12/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,22,25)