4-bromanyl-5-[(S)-cyano-(1-methylbenzimidazol-2-yl)methyl]pyridazin-3-olate

Systemtic Name: 4-bromanyl-5-[(S)-cyano-(1-methylbenzimidazol-2-yl)methyl]pyridazin-3-olate Openeye Name: 4-bromo-5-[(S)-cyano-(1-methylbenzimidazol-2-yl)methyl]pyridazin-3-olate CAS Name: 4-bromo-5-[(S)-cyano-(1-methyl-2-benzimidazolyl)methyl]-3-pyridazinolate IUPAC Name: 4-bromo-5-[(S)-cyano-(1-methylbenzimidazol-2-yl)methyl]pyridazin-3-olate Traditional Name: 4-bromo-5-[(S)-cyano-(1-methylbenzimidazol-2-yl)methyl]pyridazin-3-olate Formula: C14H9BrN5O- MolecularWeight: 343.15816

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C#N)C3=CN=NC(=C3Br)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2N=C1[C@H](C#N)C3=CN=NC(=C3Br)[O-]

InChI

InChI=1S/C14H10BrN5O/c1-20-11-5-3-2-4-10(11)18-13(20)8(6-16)9-7-17-19-14(21)12(9)15/h2-5,7-8H,1H3,(H,19,21)/p-1/t8-/m1/s1