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

Systemtic Name: 1-butyl-2-[(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]methyl]benzimidazole-5-sulfonamide Formula: C21H25N5O2S2 MolecularWeight: 443.5855

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC(=C(C(=C3C#N)C)C)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC(=C(C(=C3C#N)C)C)C

InChI

InChI=1S/C21H25N5O2S2/c1-5-6-9-26-19-8-7-16(30(23,27)28)10-18(19)25-20(26)12-29-21-17(11-22)14(3)13(2)15(4)24-21/h7-8,10H,5-6,9,12H2,1-4H3,(H2,23,27,28)