2-[3-(2,4,6-trimethylphenyl)-1,2,4-oxadiazol-5-yl]ethanenitrile

Systemtic Name: 2-[3-(2,4,6-trimethylphenyl)-1,2,4-oxadiazol-5-yl]ethanenitrile Openeye Name: 2-[3-(2,4,6-trimethylphenyl)-1,2,4-oxadiazol-5-yl]acetonitrile CAS Name: 2-[3-(2,4,6-trimethylphenyl)-1,2,4-oxadiazol-5-yl]acetonitrile IUPAC Name: 2-[3-(2,4,6-trimethylphenyl)-1,2,4-oxadiazol-5-yl]acetonitrile Traditional Name: 2-(3-mesityl-1,2,4-oxadiazol-5-yl)acetonitrile Formula: C13H13N3O MolecularWeight: 227.26182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=NOC(=N2)CC#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=NOC(=N2)CC#N)C

InChI

InChI=1S/C13H13N3O/c1-8-6-9(2)12(10(3)7-8)13-15-11(4-5-14)17-16-13/h6-7H,4H2,1-3H3