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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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