2-(2-cyanoethylsulfanyl)-1-ethyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-(2-cyanoethylsulfanyl)-1-ethyl-benzimidazole-5-sulfonamide Openeye Name: 2-(2-cyanoethylsulfanyl)-1-ethyl-benzimidazole-5-sulfonamide CAS Name: 2-(2-cyanoethylthio)-1-ethyl-5-benzimidazolesulfonamide IUPAC Name: 2-(2-cyanoethylsulfanyl)-1-ethylbenzimidazole-5-sulfonamide Traditional Name: 2-(2-cyanoethylthio)-1-ethyl-benzimidazole-5-sulfonamide Formula: C12H14N4O2S2 MolecularWeight: 310.39516

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCCC#N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCCC#N

InChI

InChI=1S/C12H14N4O2S2/c1-2-16-11-5-4-9(20(14,17)18)8-10(11)15-12(16)19-7-3-6-13/h4-5,8H,2-3,7H2,1H3,(H2,14,17,18)