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

Systemtic Name: 2-[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl]sulfanyl-1-butyl-benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(3S)-3-cyano-4-imino-2-oxo-pentyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(3S)-3-cyano-4-imino-2-oxopentyl]thio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(3S)-3-cyano-4-imino-2-oxopentyl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(3S)-3-cyano-4-imino-2-keto-pentyl]thio]benzimidazole-5-sulfonamide Formula: C17H21N5O3S2 MolecularWeight: 407.51034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C17H21N5O3S2/c1-3-4-7-22-15-6-5-12(27(20,24)25)8-14(15)21-17(22)26-10-16(23)13(9-18)11(2)19/h5-6,8,13,19H,3-4,7,10H2,1-2H3,(H2,20,24,25)/t13-/m1/s1