5-(3-chlorophenyl)sulfanyl-1H-pyrrole-3-carboxylic acid

Systemtic Name: 5-(3-chlorophenyl)sulfanyl-1H-pyrrole-3-carboxylic acid Openeye Name: 5-(3-chlorophenyl)sulfanyl-1H-pyrrole-3-carboxylic acid CAS Name: 5-[(3-chlorophenyl)thio]-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-(3-chlorophenyl)sulfanyl-1H-pyrrole-3-carboxylic acid Traditional Name: 5-[(3-chlorophenyl)thio]-1H-pyrrole-3-carboxylic acid Formula: C11H8ClNO2S MolecularWeight: 253.70472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8ClNO2S/c12-8-2-1-3-9(5-8)16-10-4-7(6-13-10)11(14)15/h1-6,13H,(H,14,15)