1-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[2-(2,5-dimethylphenyl)-2-oxo-ethyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[2-(2,5-dimethylphenyl)-2-keto-ethyl]-1,2,4-triazole-3-carbonitrile Formula: C13H12N4O MolecularWeight: 240.26058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O/c1-9-3-4-10(2)11(5-9)12(18)7-17-8-15-13(6-14)16-17/h3-5,8H,7H2,1-2H3