2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1-ethyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1-ethyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1-ethyl-benzimidazole-5-carboxylic acid CAS Name: 2-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-1-ethyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1-ethylbenzimidazole-5-carboxylic acid Traditional Name: 2-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-1-ethyl-benzimidazole-5-carboxylic acid Formula: C13H14N6O2S MolecularWeight: 318.35426

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CSC3=NNC(=N3)N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CSC3=NNC(=N3)N

InChI

InChI=1S/C13H14N6O2S/c1-2-19-9-4-3-7(11(20)21)5-8(9)15-10(19)6-22-13-16-12(14)17-18-13/h3-5H,2,6H2,1H3,(H,20,21)(H3,14,16,17,18)