(2S)-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-3-pyridin-4-yl-propanenitrile

Systemtic Name: (2S)-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-3-pyridin-4-yl-propanenitrile Openeye Name: (2S)-2-(1-methylbenzimidazol-2-yl)-3-oxo-3-(4-pyridyl)propanenitrile CAS Name: (2S)-2-(1-methyl-2-benzimidazolyl)-3-oxo-3-pyridin-4-ylpropanenitrile IUPAC Name: (2S)-2-(1-methylbenzimidazol-2-yl)-3-oxo-3-pyridin-4-ylpropanenitrile Traditional Name: (2S)-3-keto-2-(1-methylbenzimidazol-2-yl)-3-(4-pyridyl)propionitrile Formula: C16H12N4O MolecularWeight: 276.29268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4O/c1-20-14-5-3-2-4-13(14)19-16(20)12(10-17)15(21)11-6-8-18-9-7-11/h2-9,12H,1H3/t12-/m1/s1