1-butyl-2-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(3-cyano-4,6-dimethyl-2-pyridyl)thio]methyl]benzimidazole-5-sulfonamide Formula: C20H23N5O2S2 MolecularWeight: 429.55892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=C(C(=CC(=N3)C)C)C#N

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=C(C(=CC(=N3)C)C)C#N

InChI

InChI=1S/C20H23N5O2S2/c1-4-5-8-25-18-7-6-15(29(22,26)27)10-17(18)24-19(25)12-28-20-16(11-21)13(2)9-14(3)23-20/h6-7,9-10H,4-5,8,12H2,1-3H3,(H2,22,26,27)