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

Systemtic Name: 1-[2-(4-hexylphenyl)-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[2-(4-hexylphenyl)-2-oxo-ethyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[2-(4-hexylphenyl)-2-oxoethyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[2-(4-hexylphenyl)-2-oxoethyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[2-(4-hexylphenyl)-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:

CCCCCCC1=CC=C(C=C1)C(=O)CN2C=NC(=N2)C#N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)CN2C=NC(=N2)C#N

InChI

InChI=1S/C17H20N4O/c1-2-3-4-5-6-14-7-9-15(10-8-14)16(22)12-21-13-19-17(11-18)20-21/h7-10,13H,2-6,12H2,1H3