[4-(2-cyano-5-methylsulfanyl-pyrrol-1-yl)phenyl]methyl methanesulfonate

Systemtic Name: [4-(2-cyano-5-methylsulfanyl-pyrrol-1-yl)phenyl]methyl methanesulfonate Openeye Name: [4-(2-cyano-5-methylsulfanyl-pyrrol-1-yl)phenyl]methyl methanesulfonate CAS Name: methanesulfonic acid [4-[2-cyano-5-(methylthio)-1-pyrrolyl]phenyl]methyl ester IUPAC Name: [4-(2-cyano-5-methylsulfanylpyrrol-1-yl)phenyl]methyl methanesulfonate Traditional Name: methanesulfonic acid [4-[2-cyano-5-(methylthio)pyrrol-1-yl]benzyl] ester Formula: C14H14N2O3S2 MolecularWeight: 322.40256

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(N1C2=CC=C(C=C2)COS(=O)(=O)C)C#N

Isomeric SMILES

CSC1=CC=C(N1C2=CC=C(C=C2)COS(=O)(=O)C)C#N

InChI

InChI=1S/C14H14N2O3S2/c1-20-14-8-7-13(9-15)16(14)12-5-3-11(4-6-12)10-19-21(2,17)18/h3-8H,10H2,1-2H3