2-[2-(5-cyano-3aH-benzimidazol-2-yl)-1,2-bis(oxidanyl)ethyl]-3aH-benzimidazole-5-carbonitrile

Systemtic Name: 2-[2-(5-cyano-3aH-benzimidazol-2-yl)-1,2-bis(oxidanyl)ethyl]-3aH-benzimidazole-5-carbonitrile Openeye Name: 2-[2-(5-cyano-3aH-benzimidazol-2-yl)-1,2-dihydroxy-ethyl]-3aH-benzimidazole-5-carbonitrile CAS Name: 2-[2-(5-cyano-3aH-benzimidazol-2-yl)-1,2-dihydroxyethyl]-3aH-benzimidazole-5-carbonitrile IUPAC Name: 2-[2-(5-cyano-3aH-benzimidazol-2-yl)-1,2-dihydroxyethyl]-3aH-benzimidazole-5-carbonitrile Traditional Name: 2-[2-(5-cyano-3aH-benzimidazol-2-yl)-1,2-dihydroxy-ethyl]-3aH-benzimidazole-5-carbonitrile Formula: C18H12N6O2 MolecularWeight: 344.32688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=NC2C=C1C#N)C(C(C3=NC4C=C(C=CC4=N3)C#N)O)O

Isomeric SMILES

C1=CC2=NC(=NC2C=C1C#N)C(C(C3=NC4C=C(C=CC4=N3)C#N)O)O

InChI

InChI=1S/C18H12N6O2/c19-7-9-1-3-11-13(5-9)23-17(21-11)15(25)16(26)18-22-12-4-2-10(8-20)6-14(12)24-18/h1-6,13-16,25-26H