3-imidazol-1-ylcarbonyl-4-sulfanyl-benzoic acid

Systemtic Name: 3-imidazol-1-ylcarbonyl-4-sulfanyl-benzoic acid Openeye Name: 3-(imidazole-1-carbonyl)-4-sulfanyl-benzoic acid CAS Name: 3-[1-imidazolyl(oxo)methyl]-4-mercaptobenzoic acid IUPAC Name: 3-(imidazole-1-carbonyl)-4-sulfanylbenzoic acid Traditional Name: 3-(imidazole-1-carbonyl)-4-mercapto-benzoic acid Formula: C11H8N2O3S MolecularWeight: 248.25782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)C(=O)N2C=CN=C2)S

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)C(=O)N2C=CN=C2)S

InChI

InChI=1S/C11H8N2O3S/c14-10(13-4-3-12-6-13)8-5-7(11(15)16)1-2-9(8)17/h1-6,17H,(H,15,16)