1-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[[2-(2,4-dimethylphenyl)oxazol-4-yl]methyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[[2-(2,4-dimethylphenyl)-4-oxazolyl]methyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[[2-(2,4-dimethylphenyl)oxazol-4-yl]methyl]-1,2,4-triazole-3-carbonitrile Formula: C15H13N5O MolecularWeight: 279.29662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC(=CO2)CN3C=NC(=N3)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC(=CO2)CN3C=NC(=N3)C#N)C

InChI

InChI=1S/C15H13N5O/c1-10-3-4-13(11(2)5-10)15-18-12(8-21-15)7-20-9-17-14(6-16)19-20/h3-5,8-9H,7H2,1-2H3