N-[(3-methylphenyl)methyl]-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide

Systemtic Name: N-[(3-methylphenyl)methyl]-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide Openeye Name: 2-methylsulfanyl-N-(m-tolylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide CAS Name: N-[(3-methylphenyl)methyl]-2-(methylthio)-4-(trifluoromethyl)-5-pyrimidinecarboxamide IUPAC Name: N-[(3-methylphenyl)methyl]-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide Traditional Name: N-(3-methylbenzyl)-2-(methylthio)-4-(trifluoromethyl)pyrimidine-5-carboxamide Formula: C15H14F3N3OS MolecularWeight: 341.35137

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(=O)C2=CN=C(N=C2C(F)(F)F)SC

Isomeric SMILES

CC1=CC(=CC=C1)CNC(=O)C2=CN=C(N=C2C(F)(F)F)SC

InChI

InChI=1S/C15H14F3N3OS/c1-9-4-3-5-10(6-9)7-19-13(22)11-8-20-14(23-2)21-12(11)15(16,17)18/h3-6,8H,7H2,1-2H3,(H,19,22)