[5-(4-methylphenyl)sulfanyl-1H-pyrrol-3-yl]methyl methanesulfonate

Systemtic Name: [5-(4-methylphenyl)sulfanyl-1H-pyrrol-3-yl]methyl methanesulfonate Openeye Name: [5-(p-tolylsulfanyl)-1H-pyrrol-3-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [5-[(4-methylphenyl)thio]-1H-pyrrol-3-yl]methyl ester IUPAC Name: [5-(4-methylphenyl)sulfanyl-1H-pyrrol-3-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [5-(p-tolylthio)-1H-pyrrol-3-yl]methyl ester Formula: C13H15NO3S2 MolecularWeight: 297.3931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=CN2)COS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CN2)COS(=O)(=O)C

InChI

InChI=1S/C13H15NO3S2/c1-10-3-5-12(6-4-10)18-13-7-11(8-14-13)9-17-19(2,15)16/h3-8,14H,9H2,1-2H3