2-[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl]sulfanyl-1-ethyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl]sulfanyl-1-ethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(3R)-3-cyano-4-imino-2-oxo-pentyl]sulfanyl-1-ethyl-benzimidazole-5-sulfonamide CAS Name: 2-[[(3R)-3-cyano-4-imino-2-oxopentyl]thio]-1-ethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(3R)-3-cyano-4-imino-2-oxopentyl]sulfanyl-1-ethylbenzimidazole-5-sulfonamide Traditional Name: 2-[[(3R)-3-cyano-4-imino-2-keto-pentyl]thio]-1-ethyl-benzimidazole-5-sulfonamide Formula: C15H17N5O3S2 MolecularWeight: 379.45718

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C15H17N5O3S2/c1-3-20-13-5-4-10(25(18,22)23)6-12(13)19-15(20)24-8-14(21)11(7-16)9(2)17/h4-6,11,17H,3,8H2,1-2H3,(H2,18,22,23)/t11-/m0/s1