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

Systemtic Name: 2-[4-(4-tert-butylphenyl)-3-methyl-5-oxidanylidene-1,2,4-triazol-1-yl]ethanenitrile Openeye Name: 2-[4-(4-tert-butylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetonitrile CAS Name: 2-[4-(4-tert-butylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetonitrile IUPAC Name: 2-[4-(4-tert-butylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetonitrile Traditional Name: 2-[4-(4-tert-butylphenyl)-5-keto-3-methyl-1,2,4-triazol-1-yl]acetonitrile Formula: C15H18N4O MolecularWeight: 270.32962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O/c1-11-17-18(10-9-16)14(20)19(11)13-7-5-12(6-8-13)15(2,3)4/h5-8H,10H2,1-4H3