4-methyl-4-(5-phenyl-1,2,3,4-tetrazol-2-yl)pentan-2-one

Systemtic Name: 4-methyl-4-(5-phenyl-1,2,3,4-tetrazol-2-yl)pentan-2-one Openeye Name: 4-methyl-4-(5-phenyltetrazol-2-yl)pentan-2-one CAS Name: 4-methyl-4-(5-phenyl-2-tetrazolyl)-2-pentanone IUPAC Name: 4-methyl-4-(5-phenyltetrazol-2-yl)pentan-2-one Traditional Name: 4-methyl-4-(5-phenyltetrazol-2-yl)pentan-2-one Formula: C13H16N4O MolecularWeight: 244.29234

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)N1N=C(N=N1)C2=CC=CC=C2

Isomeric SMILES

CC(=O)CC(C)(C)N1N=C(N=N1)C2=CC=CC=C2

InChI

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