2-methylsulfanyl-N-[4-(pyridin-4-ylmethyl)phenyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide

Systemtic Name: 2-methylsulfanyl-N-[4-(pyridin-4-ylmethyl)phenyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide Openeye Name: 2-methylsulfanyl-N-[4-(4-pyridylmethyl)phenyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide CAS Name: 2-(methylthio)-N-[4-(pyridin-4-ylmethyl)phenyl]-4-(trifluoromethyl)-5-pyrimidinecarboxamide IUPAC Name: 2-methylsulfanyl-N-[4-(pyridin-4-ylmethyl)phenyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide Traditional Name: 2-(methylthio)-N-[4-(4-pyridylmethyl)phenyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide Formula: C19H15F3N4OS MolecularWeight: 404.40881

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3

Isomeric SMILES

CSC1=NC=C(C(=N1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3

InChI

InChI=1S/C19H15F3N4OS/c1-28-18-24-11-15(16(26-18)19(20,21)22)17(27)25-14-4-2-12(3-5-14)10-13-6-8-23-9-7-13/h2-9,11H,10H2,1H3,(H,25,27)