3,3-dimethyl-1-[5-(4-methylphenyl)-1,2,3,4-tetrazol-1-yl]butan-2-one

Systemtic Name: 3,3-dimethyl-1-[5-(4-methylphenyl)-1,2,3,4-tetrazol-1-yl]butan-2-one Openeye Name: 3,3-dimethyl-1-[5-(p-tolyl)tetrazol-1-yl]butan-2-one CAS Name: 3,3-dimethyl-1-[5-(4-methylphenyl)-1-tetrazolyl]-2-butanone IUPAC Name: 3,3-dimethyl-1-[5-(4-methylphenyl)tetrazol-1-yl]butan-2-one Traditional Name: 3,3-dimethyl-1-[5-(p-tolyl)tetrazol-1-yl]butan-2-one Formula: C14H18N4O MolecularWeight: 258.31892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=NN2CC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=NN2CC(=O)C(C)(C)C

InChI

InChI=1S/C14H18N4O/c1-10-5-7-11(8-6-10)13-15-16-17-18(13)9-12(19)14(2,3)4/h5-8H,9H2,1-4H3