(2R)-3-oxidanylidene-2-(4-phenyl-1,2,4-triazol-3-yl)butanenitrile

Systemtic Name: (2R)-3-oxidanylidene-2-(4-phenyl-1,2,4-triazol-3-yl)butanenitrile Openeye Name: (2R)-3-oxo-2-(4-phenyl-1,2,4-triazol-3-yl)butanenitrile CAS Name: (2R)-3-oxo-2-(4-phenyl-1,2,4-triazol-3-yl)butanenitrile IUPAC Name: (2R)-3-oxo-2-(4-phenyl-1,2,4-triazol-3-yl)butanenitrile Traditional Name: (2R)-3-keto-2-(4-phenyl-1,2,4-triazol-3-yl)butyronitrile Formula: C12H10N4O MolecularWeight: 226.234

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C#N)C1=NN=CN1C2=CC=CC=C2

Isomeric SMILES

CC(=O)[C@H](C#N)C1=NN=CN1C2=CC=CC=C2

InChI

InChI=1S/C12H10N4O/c1-9(17)11(7-13)12-15-14-8-16(12)10-5-3-2-4-6-10/h2-6,8,11H,1H3/t11-/m0/s1