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

Systemtic Name: N-[(3-chlorophenyl)methyl]-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-2-(methylthio)-4-(trifluoromethyl)-5-pyrimidinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide Traditional Name: N-(3-chlorobenzyl)-2-(methylthio)-4-(trifluoromethyl)pyrimidine-5-carboxamide Formula: C14H11ClF3N3OS MolecularWeight: 361.76985

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(F)(F)F)C(=O)NCC2=CC(=CC=C2)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(F)(F)F)C(=O)NCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C14H11ClF3N3OS/c1-23-13-20-7-10(11(21-13)14(16,17)18)12(22)19-6-8-3-2-4-9(15)5-8/h2-5,7H,6H2,1H3,(H,19,22)