4-(4-methylphenyl)sulfanyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-(4-methylphenyl)sulfanyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-(p-tolylsulfanyl)-1H-pyrrole-2-carboxylic acid CAS Name: 4-[(4-methylphenyl)thio]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-(4-methylphenyl)sulfanyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-(p-tolylthio)-1H-pyrrole-2-carboxylic acid Formula: C12H11NO2S MolecularWeight: 233.28624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CNC(=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CNC(=C2)C(=O)O

InChI

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