2-[4-(2,6-dimethylphenyl)-3-methyl-5-oxidanylidene-1,2,4-triazol-1-yl]ethanenitrile

Systemtic Name: 2-[4-(2,6-dimethylphenyl)-3-methyl-5-oxidanylidene-1,2,4-triazol-1-yl]ethanenitrile Openeye Name: 2-[4-(2,6-dimethylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetonitrile CAS Name: 2-[4-(2,6-dimethylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetonitrile IUPAC Name: 2-[4-(2,6-dimethylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetonitrile Traditional Name: 2-[4-(2,6-dimethylphenyl)-5-keto-3-methyl-1,2,4-triazol-1-yl]acetonitrile Formula: C13H14N4O MolecularWeight: 242.27646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=NN(C2=O)CC#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=NN(C2=O)CC#N)C

InChI

InChI=1S/C13H14N4O/c1-9-5-4-6-10(2)12(9)17-11(3)15-16(8-7-14)13(17)18/h4-6H,8H2,1-3H3