2-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl]sulfanyl-1-ethyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl]sulfanyl-1-ethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl]sulfanyl-1-ethyl-benzimidazole-5-sulfonamide CAS Name: 2-[[3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl]thio]-1-ethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl]sulfanyl-1-ethylbenzimidazole-5-sulfonamide Traditional Name: 2-[[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl]thio]-1-ethyl-benzimidazole-5-sulfonamide Formula: C22H22N6O3S2 MolecularWeight: 482.57848

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C(=C3N(C4=CC=CC=C4N3C)C)C#N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C(=C3N(C4=CC=CC=C4N3C)C)C#N

InChI

InChI=1S/C22H22N6O3S2/c1-4-28-17-10-9-14(33(24,30)31)11-16(17)25-22(28)32-13-20(29)15(12-23)21-26(2)18-7-5-6-8-19(18)27(21)3/h5-11H,4,13H2,1-3H3,(H2,24,30,31)