N-butyl-2-[2-(4-cyanophenyl)-2-oxidanylidene-ethyl]sulfanyl-3H-benzimidazole-5-sulfonamide

Systemtic Name: N-butyl-2-[2-(4-cyanophenyl)-2-oxidanylidene-ethyl]sulfanyl-3H-benzimidazole-5-sulfonamide Openeye Name: N-butyl-2-[2-(4-cyanophenyl)-2-oxo-ethyl]sulfanyl-3H-benzimidazole-5-sulfonamide CAS Name: N-butyl-2-[[2-(4-cyanophenyl)-2-oxoethyl]thio]-3H-benzimidazole-5-sulfonamide IUPAC Name: N-butyl-2-[2-(4-cyanophenyl)-2-oxoethyl]sulfanyl-3H-benzimidazole-5-sulfonamide Traditional Name: N-butyl-2-[[2-(4-cyanophenyl)-2-keto-ethyl]thio]-3H-benzimidazole-5-sulfonamide Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H20N4O3S2/c1-2-3-10-22-29(26,27)16-8-9-17-18(11-16)24-20(23-17)28-13-19(25)15-6-4-14(12-21)5-7-15/h4-9,11,22H,2-3,10,13H2,1H3,(H,23,24)