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

Systemtic Name: 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[(1H-1,2,4-triazol-5-ylthio)methyl]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[(1H-1,2,4-triazol-5-ylthio)methyl]-3H-benzimidazole-5-carboxylic acid Formula: C11H9N5O2S MolecularWeight: 275.28646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)NC(=N2)CSC3=NC=NN3

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)NC(=N2)CSC3=NC=NN3

InChI

InChI=1S/C11H9N5O2S/c17-10(18)6-1-2-7-8(3-6)15-9(14-7)4-19-11-12-5-13-16-11/h1-3,5H,4H2,(H,14,15)(H,17,18)(H,12,13,16)