2-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-benzimidazole-5-carboxylic acid Openeye Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-benzimidazole-5-carboxylic acid CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-1-ethyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethylbenzimidazole-5-carboxylic acid Traditional Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-1-ethyl-benzimidazole-5-carboxylic acid Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H16N4O2S/c1-2-22-15-8-7-11(17(23)24)9-14(15)19-16(22)10-25-18-20-12-5-3-4-6-13(12)21-18/h3-9H,2,10H2,1H3,(H,20,21)(H,23,24)