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

Systemtic Name: 1-ethyl-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole-5-carboxylic acid Openeye Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-ethyl-benzimidazole-5-carboxylic acid CAS Name: 1-ethyl-2-[[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]-5-benzimidazolecarboxylic acid IUPAC Name: 2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-ethylbenzimidazole-5-carboxylic acid Traditional Name: 2-[[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-1-ethyl-benzimidazole-5-carboxylic acid Formula: C24H21N5O2S2 MolecularWeight: 475.58584

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CSC3=NN=C(N3CC4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CSC3=NN=C(N3CC4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C24H21N5O2S2/c1-2-28-19-11-10-17(23(30)31)13-18(19)25-21(28)15-33-24-27-26-22(20-9-6-12-32-20)29(24)14-16-7-4-3-5-8-16/h3-13H,2,14-15H2,1H3,(H,30,31)