N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[[1-(2-cyanoethyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylacetamide Traditional Name: 2-[[1-(2-cyanoethyl)benzimidazol-2-yl]thio]-N-piazthiol-4-yl-acetamide Formula: C18H14N6OS2 MolecularWeight: 394.47336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CCC#N)SCC(=O)NC3=CC=CC4=NSN=C43

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CCC#N)SCC(=O)NC3=CC=CC4=NSN=C43

InChI

InChI=1S/C18H14N6OS2/c19-9-4-10-24-15-8-2-1-5-12(15)21-18(24)26-11-16(25)20-13-6-3-7-14-17(13)23-27-22-14/h1-3,5-8H,4,10-11H2,(H,20,25)