1-[5-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-2-yl]propan-2-one

Systemtic Name: 1-[5-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-2-yl]propan-2-one Openeye Name: 1-[5-(4-isopropylphenyl)tetrazol-2-yl]propan-2-one CAS Name: 1-[5-(4-propan-2-ylphenyl)-2-tetrazolyl]-2-propanone IUPAC Name: 1-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propan-2-one Traditional Name: 1-(5-p-cumenyltetrazol-2-yl)acetone Formula: C13H16N4O MolecularWeight: 244.29234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)C

InChI

InChI=1S/C13H16N4O/c1-9(2)11-4-6-12(7-5-11)13-14-16-17(15-13)8-10(3)18/h4-7,9H,8H2,1-3H3