4-{[4-(1-benzothiophen-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]amino}benzoic acid

Formula: C20H12F3N3O2S

SMILES: OC(=O)C1=CC=C(NC2=NC(=CC(=N2)C(F)(F)F)C2=CSC3=CC=CC=C23)C=C1

IUPAC: 4-{[4-(1-benzothiophen-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]amino}benzoic acid

InChI: InChI=1S/C20H12F3N3O2S/c21-20(22,23)17-9-15(14-10-29-16-4-2-1-3-13(14)16)25-19(26-17)24-12-7-5-11(6-8-12)18(27)28/h1-10H,(H,27,28)(H,24,25,26)

Composition: C (57.83%), H (2.91%), F (13.72%), N (10.12%), O (7.70%), S (7.72%)

Molar Mass: 415.39

Atom Count: 41

Heavy Atom Count: 29