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

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

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

Isomeric SMILES

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

InChI

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