(2S)-3-(5-bromanylpyridin-3-yl)-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: (2S)-3-(5-bromanylpyridin-3-yl)-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-propanenitrile Openeye Name: (2S)-3-(5-bromo-3-pyridyl)-2-(1-methylbenzimidazol-2-yl)-3-oxo-propanenitrile CAS Name: (2S)-3-(5-bromo-3-pyridinyl)-2-(1-methyl-2-benzimidazolyl)-3-oxopropanenitrile IUPAC Name: (2S)-3-(5-bromopyridin-3-yl)-2-(1-methylbenzimidazol-2-yl)-3-oxopropanenitrile Traditional Name: (2S)-3-(5-bromo-3-pyridyl)-3-keto-2-(1-methylbenzimidazol-2-yl)propionitrile Formula: C16H11BrN4O MolecularWeight: 355.18874

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrN4O/c1-21-14-5-3-2-4-13(14)20-16(21)12(7-18)15(22)10-6-11(17)9-19-8-10/h2-6,8-9,12H,1H3/t12-/m1/s1