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

Systemtic Name: [5-(3-chlorophenyl)sulfanyl-1H-pyrrol-3-yl]methyl methanesulfonate Openeye Name: [5-(3-chlorophenyl)sulfanyl-1H-pyrrol-3-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [5-[(3-chlorophenyl)thio]-1H-pyrrol-3-yl]methyl ester IUPAC Name: [5-(3-chlorophenyl)sulfanyl-1H-pyrrol-3-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [5-[(3-chlorophenyl)thio]-1H-pyrrol-3-yl]methyl ester Formula: C12H12ClNO3S2 MolecularWeight: 317.81158

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC1=CNC(=C1)SC2=CC(=CC=C2)Cl

Isomeric SMILES

CS(=O)(=O)OCC1=CNC(=C1)SC2=CC(=CC=C2)Cl

InChI

InChI=1S/C12H12ClNO3S2/c1-19(15,16)17-8-9-5-12(14-7-9)18-11-4-2-3-10(13)6-11/h2-7,14H,8H2,1H3