[2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)-5-[4-(trifluoromethyloxy)phenyl]sulfanyl-pyrrol-3-yl]methanol

Systemtic Name: [2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)-5-[4-(trifluoromethyloxy)phenyl]sulfanyl-pyrrol-3-yl]methanol Openeye Name: [4-isopropyl-2-methyl-1-(4-pyridylmethyl)-5-[4-(trifluoromethoxy)phenyl]sulfanyl-pyrrol-3-yl]methanol CAS Name: [2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)-5-[[4-(trifluoromethoxy)phenyl]thio]-3-pyrrolyl]methanol IUPAC Name: [2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]sulfanylpyrrol-3-yl]methanol Traditional Name: [4-isopropyl-2-methyl-1-(4-pyridylmethyl)-5-[[4-(trifluoromethoxy)phenyl]thio]pyrrol-3-yl]methanol Formula: C22H23F3N2O2S MolecularWeight: 436.49043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=NC=C2)SC3=CC=C(C=C3)OC(F)(F)F)C(C)C)CO

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=NC=C2)SC3=CC=C(C=C3)OC(F)(F)F)C(C)C)CO

InChI

InChI=1S/C22H23F3N2O2S/c1-14(2)20-19(13-28)15(3)27(12-16-8-10-26-11-9-16)21(20)30-18-6-4-17(5-7-18)29-22(23,24)25/h4-11,14,28H,12-13H2,1-3H3