1-(3,3-dimethyl-2-oxidanylidene-butyl)-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-butyl)-1,2,4-triazole-3-carbonitrile Openeye Name: 1-(3,3-dimethyl-2-oxo-butyl)-1,2,4-triazole-3-carbonitrile CAS Name: 1-(3,3-dimethyl-2-oxobutyl)-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-(3,3-dimethyl-2-oxobutyl)-1,2,4-triazole-3-carbonitrile Traditional Name: 1-(2-keto-3,3-dimethyl-butyl)-1,2,4-triazole-3-carbonitrile Formula: C9H12N4O MolecularWeight: 192.21778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C=NC(=N1)C#N

Isomeric SMILES

CC(C)(C)C(=O)CN1C=NC(=N1)C#N

InChI

InChI=1S/C9H12N4O/c1-9(2,3)7(14)5-13-6-11-8(4-10)12-13/h6H,5H2,1-3H3