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

Systemtic Name: 2-[3-methyl-5-oxidanylidene-4-(4-propan-2-ylphenyl)-1,2,4-triazol-1-yl]ethanenitrile Openeye Name: 2-[4-(4-isopropylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetonitrile CAS Name: 2-[3-methyl-5-oxo-4-(4-propan-2-ylphenyl)-1,2,4-triazol-1-yl]acetonitrile IUPAC Name: 2-[3-methyl-5-oxo-4-(4-propan-2-ylphenyl)-1,2,4-triazol-1-yl]acetonitrile Traditional Name: 2-(5-keto-3-methyl-4-p-cumenyl-1,2,4-triazol-1-yl)acetonitrile Formula: C14H16N4O MolecularWeight: 256.30304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O/c1-10(2)12-4-6-13(7-5-12)18-11(3)16-17(9-8-15)14(18)19/h4-7,10H,9H2,1-3H3