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

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

CCC1=CC=C(C=C1)C(=O)CN2C=NN=C2C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CN2C=NN=C2C#N

InChI

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