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

Systemtic Name: 1-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-carboxylic acid Openeye Name: 1-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-carboxylic acid CAS Name: 1-ethyl-2-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-carboxylic acid Traditional Name: 1-ethyl-2-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzimidazole-5-carboxylic acid Formula: C14H15N5O2S MolecularWeight: 317.3662

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CSC3=NN=CN3C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CSC3=NN=CN3C

InChI

InChI=1S/C14H15N5O2S/c1-3-19-11-5-4-9(13(20)21)6-10(11)16-12(19)7-22-14-17-15-8-18(14)2/h4-6,8H,3,7H2,1-2H3,(H,20,21)