(phenylmethyl) 2-pyridin-2-ylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 2-pyridin-2-ylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxylate Openeye Name: benzyl 2-(2-pyridylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxylate CAS Name: 2-(2-pyridinylthio)-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-pyridin-2-ylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxylate Traditional Name: 2-(2-pyridylthio)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid benzyl ester Formula: C18H12F3N3O2S MolecularWeight: 391.36699

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CN=C(N=C2C(F)(F)F)SC3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CN=C(N=C2C(F)(F)F)SC3=CC=CC=N3

InChI

InChI=1S/C18H12F3N3O2S/c19-18(20,21)15-13(16(25)26-11-12-6-2-1-3-7-12)10-23-17(24-15)27-14-8-4-5-9-22-14/h1-10H,11H2