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

Systemtic Name: 3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-prop-2-enyl-propanamide Openeye Name: N-allyl-3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide CAS Name: 3-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-prop-2-enylpropanamide IUPAC Name: 3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-prop-2-enylpropanamide Traditional Name: N-allyl-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)NCC=C)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C18H18F3N3O2S/c1-3-9-22-16(25)8-10-27-17-23-14(11-15(24-17)18(19,20)21)12-4-6-13(26-2)7-5-12/h3-7,11H,1,8-10H2,2H3,(H,22,25)