2-[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-1-butyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-1-butyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-(5-bromo-2-thienyl)-2-oxo-ethyl]sulfanyl-1-butyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-(5-bromo-2-thiophenyl)-2-oxoethyl]thio]-1-butyl-5-benzimidazolesulfonamide IUPAC Name: 2-[2-(5-bromothiophen-2-yl)-2-oxoethyl]sulfanyl-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-(5-bromo-2-thienyl)-2-keto-ethyl]thio]-1-butyl-benzimidazole-5-sulfonamide Formula: C17H18BrN3O3S3 MolecularWeight: 488.44212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=CC=C(S3)Br

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C17H18BrN3O3S3/c1-2-3-8-21-13-5-4-11(27(19,23)24)9-12(13)20-17(21)25-10-14(22)15-6-7-16(18)26-15/h4-7,9H,2-3,8,10H2,1H3,(H2,19,23,24)