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

Systemtic Name: 3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-propyl-propanamide Openeye Name: 3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-propyl-propanamide CAS Name: 3-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-propylpropanamide IUPAC Name: 3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-propylpropanamide Traditional Name: 3-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-N-propyl-propionamide Formula: C18H20F3N3O2S MolecularWeight: 399.43051

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CCSC1=NC(=CC(=N1)C(F)(F)F)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCNC(=O)CCSC1=NC(=CC(=N1)C(F)(F)F)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H20F3N3O2S/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/h4-7,11H,3,8-10H2,1-2H3,(H,22,25)