2-[3-(4-methylphenyl)carbonyl-1,2,4-oxadiazol-5-yl]ethanenitrile

Systemtic Name: 2-[3-(4-methylphenyl)carbonyl-1,2,4-oxadiazol-5-yl]ethanenitrile Openeye Name: 2-[3-(4-methylbenzoyl)-1,2,4-oxadiazol-5-yl]acetonitrile CAS Name: 2-[3-[(4-methylphenyl)-oxomethyl]-1,2,4-oxadiazol-5-yl]acetonitrile IUPAC Name: 2-[3-(4-methylbenzoyl)-1,2,4-oxadiazol-5-yl]acetonitrile Traditional Name: 2-(3-p-toluoyl-1,2,4-oxadiazol-5-yl)acetonitrile Formula: C12H9N3O2 MolecularWeight: 227.21876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N3O2/c1-8-2-4-9(5-3-8)11(16)12-14-10(6-7-13)17-15-12/h2-5H,6H2,1H3