(2S)-2-(benzotriazol-1-yl)-5-methyl-3-oxidanylidene-hexanenitrile

Systemtic Name: (2S)-2-(benzotriazol-1-yl)-5-methyl-3-oxidanylidene-hexanenitrile Openeye Name: (2S)-2-(benzotriazol-1-yl)-5-methyl-3-oxo-hexanenitrile CAS Name: (2S)-2-(1-benzotriazolyl)-5-methyl-3-oxohexanenitrile IUPAC Name: (2S)-2-(benzotriazol-1-yl)-5-methyl-3-oxohexanenitrile Traditional Name: (2S)-2-(benzotriazol-1-yl)-3-keto-5-methyl-hexanenitrile Formula: C13H14N4O MolecularWeight: 242.27646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C(C#N)N1C2=CC=CC=C2N=N1

Isomeric SMILES

CC(C)CC(=O)[C@H](C#N)N1C2=CC=CC=C2N=N1

InChI

InChI=1S/C13H14N4O/c1-9(2)7-13(18)12(8-14)17-11-6-4-3-5-10(11)15-16-17/h3-6,9,12H,7H2,1-2H3/t12-/m0/s1