(phenylmethyl) 2-(4-chlorophenyl)sulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 2-(4-chlorophenyl)sulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxylate Openeye Name: benzyl 2-(4-chlorophenyl)sulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxylate CAS Name: 2-[(4-chlorophenyl)thio]-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4-chlorophenyl)sulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxylate Traditional Name: 2-[(4-chlorophenyl)thio]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid benzyl ester Formula: C19H12ClF3N2O2S MolecularWeight: 424.82399

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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=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CN=C(N=C2C(F)(F)F)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H12ClF3N2O2S/c20-13-6-8-14(9-7-13)28-18-24-10-15(16(25-18)19(21,22)23)17(26)27-11-12-4-2-1-3-5-12/h1-10H,11H2