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

Systemtic Name: 1-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzimidazole-5-carboxylic acid Openeye Name: 1-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzimidazole-5-carboxylic acid CAS Name: 1-ethyl-2-[(1H-1,2,4-triazol-5-ylthio)methyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzimidazole-5-carboxylic acid Traditional Name: 1-ethyl-2-[(1H-1,2,4-triazol-5-ylthio)methyl]benzimidazole-5-carboxylic acid Formula: C13H13N5O2S MolecularWeight: 303.33962

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CSC3=NC=NN3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CSC3=NC=NN3

InChI

InChI=1S/C13H13N5O2S/c1-2-18-10-4-3-8(12(19)20)5-9(10)16-11(18)6-21-13-14-7-15-17-13/h3-5,7H,2,6H2,1H3,(H,19,20)(H,14,15,17)