S-[5-[(6-cyano-1H-benzimidazol-2-yl)carbonylsulfanyl]pentyl] 6-cyano-1H-benzimidazole-2-carbothioate

Systemtic Name: S-[5-[(6-cyano-1H-benzimidazol-2-yl)carbonylsulfanyl]pentyl] 6-cyano-1H-benzimidazole-2-carbothioate Openeye Name: S-[5-(6-cyano-1H-benzimidazole-2-carbonyl)sulfanylpentyl] 6-cyano-1H-benzimidazole-2-carbothioate CAS Name: 6-cyano-1H-benzimidazole-2-carbothioic acid S-[5-[[(6-cyano-1H-benzimidazol-2-yl)-oxomethyl]thio]pentyl] ester IUPAC Name: S-[5-(6-cyano-1H-benzimidazole-2-carbonyl)sulfanylpentyl] 6-cyano-1H-benzimidazole-2-carbothioate Traditional Name: 6-cyano-1H-benzimidazole-2-carbothioic acid S-[5-[(6-cyano-1H-benzimidazole-2-carbonyl)thio]pentyl] ester Formula: C23H18N6O2S2 MolecularWeight: 474.55802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C#N)NC(=N2)C(=O)SCCCCCSC(=O)C3=NC4=C(N3)C=C(C=C4)C#N

Isomeric SMILES

C1=CC2=C(C=C1C#N)NC(=N2)C(=O)SCCCCCSC(=O)C3=NC4=C(N3)C=C(C=C4)C#N

InChI

InChI=1S/C23H18N6O2S2/c24-12-14-4-6-16-18(10-14)28-20(26-16)22(30)32-8-2-1-3-9-33-23(31)21-27-17-7-5-15(13-25)11-19(17)29-21/h4-7,10-11H,1-3,8-9H2,(H,26,28)(H,27,29)