2-(3-methyl-5-oxidanylidene-4-phenyl-1,2,4-triazol-1-yl)ethanenitrile

Systemtic Name: 2-(3-methyl-5-oxidanylidene-4-phenyl-1,2,4-triazol-1-yl)ethanenitrile Openeye Name: 2-(3-methyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)acetonitrile CAS Name: 2-(3-methyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)acetonitrile IUPAC Name: 2-(3-methyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)acetonitrile Traditional Name: 2-(5-keto-3-methyl-4-phenyl-1,2,4-triazol-1-yl)acetonitrile Formula: C11H10N4O MolecularWeight: 214.2233

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C2=CC=CC=C2)CC#N

Isomeric SMILES

CC1=NN(C(=O)N1C2=CC=CC=C2)CC#N

InChI

InChI=1S/C11H10N4O/c1-9-13-14(8-7-12)11(16)15(9)10-5-3-2-4-6-10/h2-6H,8H2,1H3