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

Systemtic Name: 1-ethyl-2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole-5-carboxylic acid Openeye Name: 1-ethyl-2-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole-5-carboxylic acid CAS Name: 1-ethyl-2-[[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-ethyl-2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole-5-carboxylic acid Traditional Name: 1-ethyl-2-[[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]benzimidazole-5-carboxylic acid Formula: C21H22N6O3S MolecularWeight: 438.50278

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CSC3=NN=C(N3CCOC)C4=CC=NC=C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CSC3=NN=C(N3CCOC)C4=CC=NC=C4

InChI

InChI=1S/C21H22N6O3S/c1-3-26-17-5-4-15(20(28)29)12-16(17)23-18(26)13-31-21-25-24-19(27(21)10-11-30-2)14-6-8-22-9-7-14/h4-9,12H,3,10-11,13H2,1-2H3,(H,28,29)