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

Systemtic Name: 1-butyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzimidazole-5-sulfonamide Formula: C18H20N6O2S3 MolecularWeight: 448.5854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C18H20N6O2S3/c1-2-3-8-24-14-7-6-12(29(19,25)26)10-13(14)20-16(24)11-28-18-21-17(22-23-18)15-5-4-9-27-15/h4-7,9-10H,2-3,8,11H2,1H3,(H2,19,25,26)(H,21,22,23)