1-[2-[2,4-di(propan-2-yl)phenyl]-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[2-[2,4-di(propan-2-yl)phenyl]-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[2-(2,4-diisopropylphenyl)-2-oxo-ethyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[2-(2,4-diisopropylphenyl)-2-keto-ethyl]-1,2,4-triazole-3-carbonitrile Formula: C17H20N4O MolecularWeight: 296.3669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O/c1-11(2)13-5-6-14(15(7-13)12(3)4)16(22)9-21-10-19-17(8-18)20-21/h5-7,10-12H,9H2,1-4H3