5-(4-methylphenyl)sulfanyl-1H-pyrrole-3-carboxylic acid

Systemtic Name: 5-(4-methylphenyl)sulfanyl-1H-pyrrole-3-carboxylic acid Openeye Name: 5-(p-tolylsulfanyl)-1H-pyrrole-3-carboxylic acid CAS Name: 5-[(4-methylphenyl)thio]-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-(4-methylphenyl)sulfanyl-1H-pyrrole-3-carboxylic acid Traditional Name: 5-(p-tolylthio)-1H-pyrrole-3-carboxylic acid Formula: C12H11NO2S MolecularWeight: 233.28624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO2S/c1-8-2-4-10(5-3-8)16-11-6-9(7-13-11)12(14)15/h2-7,13H,1H3,(H,14,15)