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

Systemtic Name: 2-[4-(3,4-dimethoxyphenyl)-3-methyl-5-oxidanylidene-1,2,4-triazol-1-yl]ethanenitrile Openeye Name: 2-[4-(3,4-dimethoxyphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetonitrile CAS Name: 2-[4-(3,4-dimethoxyphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetonitrile IUPAC Name: 2-[4-(3,4-dimethoxyphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetonitrile Traditional Name: 2-[4-(3,4-dimethoxyphenyl)-5-keto-3-methyl-1,2,4-triazol-1-yl]acetonitrile Formula: C13H14N4O3 MolecularWeight: 274.27526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O3/c1-9-15-16(7-6-14)13(18)17(9)10-4-5-11(19-2)12(8-10)20-3/h4-5,8H,7H2,1-3H3