1-butyl-2-[(4-methylphenyl)sulfanylmethyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(4-methylphenyl)sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-(p-tolylsulfanylmethyl)benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(4-methylphenyl)thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(4-methylphenyl)sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[(p-tolylthio)methyl]benzimidazole-5-sulfonamide Formula: C19H23N3O2S2 MolecularWeight: 389.53482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O2S2/c1-3-4-11-22-18-10-9-16(26(20,23)24)12-17(18)21-19(22)13-25-15-7-5-14(2)6-8-15/h5-10,12H,3-4,11,13H2,1-2H3,(H2,20,23,24)