3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxylic acid Openeye Name: 3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzofuran-2-carboxylic acid CAS Name: 3-[(1H-1,2,4-triazol-5-ylthio)methyl]-2-benzofurancarboxylic acid IUPAC Name: 3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxylic acid Traditional Name: 3-[(1H-1,2,4-triazol-5-ylthio)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)CSC3=NC=NN3

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(O2)C(=O)O)CSC3=NC=NN3

InChI

InChI=1S/C12H9N3O3S/c16-11(17)10-8(5-19-12-13-6-14-15-12)7-3-1-2-4-9(7)18-10/h1-4,6H,5H2,(H,16,17)(H,13,14,15)