1-[(2S)-octan-2-yl]imidazole-4,5-dicarbonitrile

Systemtic Name: 1-[(2S)-octan-2-yl]imidazole-4,5-dicarbonitrile Openeye Name: 1-[(1S)-1-methylheptyl]imidazole-4,5-dicarbonitrile CAS Name: 1-[(2S)-octan-2-yl]imidazole-4,5-dicarbonitrile IUPAC Name: 1-[(2S)-octan-2-yl]imidazole-4,5-dicarbonitrile Traditional Name: 1-[(1S)-1-methylheptyl]imidazole-4,5-dicarbonitrile Formula: C13H18N4 MolecularWeight: 230.30882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)N1C=NC(=C1C#N)C#N

Isomeric SMILES

CCCCCC[C@H](C)N1C=NC(=C1C#N)C#N

InChI

InChI=1S/C13H18N4/c1-3-4-5-6-7-11(2)17-10-16-12(8-14)13(17)9-15/h10-11H,3-7H2,1-2H3/t11-/m0/s1