1-butyl-2-[(1-methylimidazol-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(1-methylimidazol-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(1-methylimidazol-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(1-methyl-2-imidazolyl)thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(1-methylimidazol-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(1-methylimidazol-2-yl)thio]methyl]benzimidazole-5-sulfonamide Formula: C16H21N5O2S2 MolecularWeight: 379.50024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC=CN3C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC=CN3C

InChI

InChI=1S/C16H21N5O2S2/c1-3-4-8-21-14-6-5-12(25(17,22)23)10-13(14)19-15(21)11-24-16-18-7-9-20(16)2/h5-7,9-10H,3-4,8,11H2,1-2H3,(H2,17,22,23)