4-[4-(2-methyl-1,2,3,4-tetrazol-5-yl)phenyl]butan-2-one

Systemtic Name: 4-[4-(2-methyl-1,2,3,4-tetrazol-5-yl)phenyl]butan-2-one Openeye Name: 4-[4-(2-methyltetrazol-5-yl)phenyl]butan-2-one CAS Name: 4-[4-(2-methyl-5-tetrazolyl)phenyl]-2-butanone IUPAC Name: 4-[4-(2-methyltetrazol-5-yl)phenyl]butan-2-one Traditional Name: 4-[4-(2-methyltetrazol-5-yl)phenyl]butan-2-one Formula: C12H14N4O MolecularWeight: 230.26576

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)C2=NN(N=N2)C

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)C2=NN(N=N2)C

InChI

InChI=1S/C12H14N4O/c1-9(17)3-4-10-5-7-11(8-6-10)12-13-15-16(2)14-12/h5-8H,3-4H2,1-2H3