1-butyl-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]methyl]benzimidazole-5-sulfonamide Formula: C16H22N6O2S2 MolecularWeight: 394.51488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NN=C(N3C)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NN=C(N3C)C

InChI

InChI=1S/C16H22N6O2S2/c1-4-5-8-22-14-7-6-12(26(17,23)24)9-13(14)18-15(22)10-25-16-20-19-11(2)21(16)3/h6-7,9H,4-5,8,10H2,1-3H3,(H2,17,23,24)