1-butyl-2-[(1R)-1-cyanoethyl]sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(1R)-1-cyanoethyl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(1R)-1-cyanoethyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(1R)-1-cyanoethyl]thio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(1R)-1-cyanoethyl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(1R)-1-cyanoethyl]thio]benzimidazole-5-sulfonamide Formula: C14H18N4O2S2 MolecularWeight: 338.44832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC(C)C#N

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1S[C@H](C)C#N

InChI

InChI=1S/C14H18N4O2S2/c1-3-4-7-18-13-6-5-11(22(16,19)20)8-12(13)17-14(18)21-10(2)9-15/h5-6,8,10H,3-4,7H2,1-2H3,(H2,16,19,20)/t10-/m1/s1