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

Systemtic Name: N-butyl-3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: N-butyl-3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide CAS Name: N-butyl-3-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanamide IUPAC Name: N-butyl-3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide Traditional Name: N-butyl-3-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionamide Formula: C19H22F3N3O2S MolecularWeight: 413.45709

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22F3N3O2S/c1-3-4-10-23-17(26)9-11-28-18-24-15(12-16(25-18)19(20,21)22)13-5-7-14(27-2)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3,(H,23,26)