1-[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-(2-keto-2-mesityl-ethyl)-1,2,4-triazole-3-carbonitrile Formula: C14H14N4O MolecularWeight: 254.28716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)CN2C=NC(=N2)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)CN2C=NC(=N2)C#N)C

InChI

InChI=1S/C14H14N4O/c1-9-4-10(2)14(11(3)5-9)12(19)7-18-8-16-13(6-15)17-18/h4-5,8H,7H2,1-3H3