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

Systemtic Name: (2S)-4-chloranyl-3-oxidanylidene-2-(4-phenyl-1,2,4-triazol-3-yl)butanenitrile Openeye Name: (2S)-4-chloro-3-oxo-2-(4-phenyl-1,2,4-triazol-3-yl)butanenitrile CAS Name: (2S)-4-chloro-3-oxo-2-(4-phenyl-1,2,4-triazol-3-yl)butanenitrile IUPAC Name: (2S)-4-chloro-3-oxo-2-(4-phenyl-1,2,4-triazol-3-yl)butanenitrile Traditional Name: (2S)-4-chloro-3-keto-2-(4-phenyl-1,2,4-triazol-3-yl)butyronitrile Formula: C12H9ClN4O MolecularWeight: 260.67906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NN=C2C(C#N)C(=O)CCl

Isomeric SMILES

C1=CC=C(C=C1)N2C=NN=C2[C@H](C#N)C(=O)CCl

InChI

InChI=1S/C12H9ClN4O/c13-6-11(18)10(7-14)12-16-15-8-17(12)9-4-2-1-3-5-9/h1-5,8,10H,6H2/t10-/m1/s1