1-butyl-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(4,5,6-trimethyl-2-pyrimidinyl)thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(4,5,6-trimethylpyrimidin-2-yl)thio]methyl]benzimidazole-5-sulfonamide Formula: C19H25N5O2S2 MolecularWeight: 419.5641

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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(=N3)C)C)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC(=C(C(=N3)C)C)C

InChI

InChI=1S/C19H25N5O2S2/c1-5-6-9-24-17-8-7-15(28(20,25)26)10-16(17)23-18(24)11-27-19-21-13(3)12(2)14(4)22-19/h7-8,10H,5-6,9,11H2,1-4H3,(H2,20,25,26)