[5-[3-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrol-3-yl]methyl methanesulfonate

Systemtic Name: [5-[3-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrol-3-yl]methyl methanesulfonate Openeye Name: [5-[3-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrol-3-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [5-[[3-(trifluoromethyl)phenyl]thio]-1H-pyrrol-3-yl]methyl ester IUPAC Name: [5-[3-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrol-3-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [5-[[3-(trifluoromethyl)phenyl]thio]-1H-pyrrol-3-yl]methyl ester Formula: C13H12F3NO3S2 MolecularWeight: 351.36449

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC1=CNC(=C1)SC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)OCC1=CNC(=C1)SC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C13H12F3NO3S2/c1-22(18,19)20-8-9-5-12(17-7-9)21-11-4-2-3-10(6-11)13(14,15)16/h2-7,17H,8H2,1H3