6-methyl-2-(phenylmethylsulfanyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 6-methyl-2-(phenylmethylsulfanyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 2-benzylsulfanyl-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 6-methyl-2-(phenylmethylthio)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 2-benzylsulfanyl-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 2-(benzylthio)-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxylic acid Formula: C20H17F3N2O2S MolecularWeight: 406.42139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1)SCC2=CC=CC=C2)C3=CC=CC=C3C(F)(F)F)C(=O)O

Isomeric SMILES

CC1=C(C(N=C(N1)SCC2=CC=CC=C2)C3=CC=CC=C3C(F)(F)F)C(=O)O

InChI

InChI=1S/C20H17F3N2O2S/c1-12-16(18(26)27)17(14-9-5-6-10-15(14)20(21,22)23)25-19(24-12)28-11-13-7-3-2-4-8-13/h2-10,17H,11H2,1H3,(H,24,25)(H,26,27)