2-[(1S,2S)-2-(6-cyano-1H-benzimidazol-2-yl)-1,2-bis(oxidanyl)ethyl]-3H-benzimidazole-5-carbonitrile

Systemtic Name: 2-[(1S,2S)-2-(6-cyano-1H-benzimidazol-2-yl)-1,2-bis(oxidanyl)ethyl]-3H-benzimidazole-5-carbonitrile Openeye Name: 2-[(1S,2S)-2-(6-cyano-1H-benzimidazol-2-yl)-1,2-dihydroxy-ethyl]-3H-benzimidazole-5-carbonitrile CAS Name: 2-[(1S,2S)-2-(6-cyano-1H-benzimidazol-2-yl)-1,2-dihydroxyethyl]-3H-benzimidazole-5-carbonitrile IUPAC Name: 2-[(1S,2S)-2-(6-cyano-1H-benzimidazol-2-yl)-1,2-dihydroxyethyl]-3H-benzimidazole-5-carbonitrile Traditional Name: 2-[(1S,2S)-2-(6-cyano-1H-benzimidazol-2-yl)-1,2-dihydroxy-ethyl]-3H-benzimidazole-5-carbonitrile Formula: C18H12N6O2 MolecularWeight: 344.32688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC2=C(C=C1C#N)NC(=N2)[C@@H]([C@H](C3=NC4=C(N3)C=C(C=C4)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/h1-6,15-16,25-26H,(H,21,23)(H,22,24)/t15-,16-/m1/s1