2-[6-[[3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methylsulfanyl]-1-benzofuran-3-yl]ethanoic acid

Systemtic Name: 2-[6-[[3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methylsulfanyl]-1-benzofuran-3-yl]ethanoic acid Openeye Name: 2-[6-[[3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methylsulfanyl]benzofuran-3-yl]acetic acid CAS Name: 2-[6-[[3-methyl-1-[4-(trifluoromethyl)phenyl]-4-pyrazolyl]methylthio]-3-benzofuranyl]acetic acid IUPAC Name: 2-[6-[[3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methylsulfanyl]-1-benzofuran-3-yl]acetic acid Traditional Name: 2-[6-[[3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methylthio]benzofuran-3-yl]acetic acid Formula: C22H17F3N2O3S MolecularWeight: 446.44219

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CSC2=CC3=C(C=C2)C(=CO3)CC(=O)O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CC1=NN(C=C1CSC2=CC3=C(C=C2)C(=CO3)CC(=O)O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H17F3N2O3S/c1-13-15(10-27(26-13)17-4-2-16(3-5-17)22(23,24)25)12-31-18-6-7-19-14(8-21(28)29)11-30-20(19)9-18/h2-7,9-11H,8,12H2,1H3,(H,28,29)