ethyl 2-[5-(1H-benzimidazol-2-ylsulfanyl)pentylsulfanyl]-3H-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[5-(1H-benzimidazol-2-ylsulfanyl)pentylsulfanyl]-3H-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[5-(1H-benzimidazol-2-ylsulfanyl)pentylsulfanyl]-3H-benzimidazole-5-carboxylate CAS Name: 2-[5-(1H-benzimidazol-2-ylthio)pentylthio]-3H-benzimidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[5-(1H-benzimidazol-2-ylsulfanyl)pentylsulfanyl]-3H-benzimidazole-5-carboxylate Traditional Name: 2-[5-(1H-benzimidazol-2-ylthio)pentylthio]-3H-benzimidazole-5-carboxylic acid ethyl ester Formula: C22H24N4O2S2 MolecularWeight: 440.58156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(N2)SCCCCCSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(N2)SCCCCCSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H24N4O2S2/c1-2-28-20(27)15-10-11-18-19(14-15)26-22(25-18)30-13-7-3-6-12-29-21-23-16-8-4-5-9-17(16)24-21/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,23,24)(H,25,26)