3-[sulfanyl(1H-1,2,4-triazol-5-yl)methyl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-[sulfanyl(1H-1,2,4-triazol-5-yl)methyl]-1-benzofuran-2-carboxylic acid Openeye Name: 3-[sulfanyl(1H-1,2,4-triazol-5-yl)methyl]benzofuran-2-carboxylic acid CAS Name: 3-[mercapto(1H-1,2,4-triazol-5-yl)methyl]-2-benzofurancarboxylic acid IUPAC Name: 3-[sulfanyl(1H-1,2,4-triazol-5-yl)methyl]-1-benzofuran-2-carboxylic acid Traditional Name: 3-[mercapto(1H-1,2,4-triazol-5-yl)methyl]coumarilic acid Formula: C12H9N3O3S MolecularWeight: 275.28316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(O2)C(=O)O)C(C3=NC=NN3)S

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(O2)C(=O)O)C(C3=NC=NN3)S

InChI

InChI=1S/C12H9N3O3S/c16-12(17)9-8(10(19)11-13-5-14-15-11)6-3-1-2-4-7(6)18-9/h1-5,10,19H,(H,16,17)(H,13,14,15)