(4-chlorophenyl)methyl 2-pyridin-2-ylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxylate

Systemtic Name: (4-chlorophenyl)methyl 2-pyridin-2-ylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxylate Openeye Name: (4-chlorophenyl)methyl 2-(2-pyridylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxylate CAS Name: 2-(2-pyridinylthio)-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl 2-pyridin-2-ylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxylate Traditional Name: 2-(2-pyridylthio)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid (4-chlorobenzyl) ester Formula: C18H11ClF3N3O2S MolecularWeight: 425.81205

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SC2=NC=C(C(=N2)C(F)(F)F)C(=O)OCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=NC(=C1)SC2=NC=C(C(=N2)C(F)(F)F)C(=O)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H11ClF3N3O2S/c19-12-6-4-11(5-7-12)10-27-16(26)13-9-24-17(25-15(13)18(20,21)22)28-14-3-1-2-8-23-14/h1-9H,10H2