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

Systemtic Name: 1-butyl-2-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(2,6-dimethyl-4-pyrimidinyl)thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(2,6-dimethylpyrimidin-4-yl)thio]methyl]benzimidazole-5-sulfonamide Formula: C18H23N5O2S2 MolecularWeight: 405.53752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC(=NC(=C3)C)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC(=NC(=C3)C)C

InChI

InChI=1S/C18H23N5O2S2/c1-4-5-8-23-16-7-6-14(27(19,24)25)10-15(16)22-17(23)11-26-18-9-12(2)20-13(3)21-18/h6-7,9-10H,4-5,8,11H2,1-3H3,(H2,19,24,25)