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

Systemtic Name: 1-ethyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-carboxylic acid Openeye Name: 1-ethyl-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole-5-carboxylic acid CAS Name: 1-ethyl-2-[[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-ethyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-carboxylic acid Traditional Name: 1-ethyl-2-[[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]benzimidazole-5-carboxylic acid Formula: C19H18N6O2S MolecularWeight: 394.45022

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CSC3=NN=C(N3C)C4=CC=NC=C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CSC3=NN=C(N3C)C4=CC=NC=C4

InChI

InChI=1S/C19H18N6O2S/c1-3-25-15-5-4-13(18(26)27)10-14(15)21-16(25)11-28-19-23-22-17(24(19)2)12-6-8-20-9-7-12/h4-10H,3,11H2,1-2H3,(H,26,27)