(4S)-4-[5-(3-methylphenyl)-1,2,3,4-tetrazol-2-yl]octan-2-one

Systemtic Name: (4S)-4-[5-(3-methylphenyl)-1,2,3,4-tetrazol-2-yl]octan-2-one Openeye Name: (4S)-4-[5-(m-tolyl)tetrazol-2-yl]octan-2-one CAS Name: (4S)-4-[5-(3-methylphenyl)-2-tetrazolyl]-2-octanone IUPAC Name: (4S)-4-[5-(3-methylphenyl)tetrazol-2-yl]octan-2-one Traditional Name: (4S)-4-[5-(m-tolyl)tetrazol-2-yl]octan-2-one Formula: C16H22N4O MolecularWeight: 286.37208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC[C@@H](CC(=O)C)N1N=C(N=N1)C2=CC(=CC=C2)C

InChI

InChI=1S/C16H22N4O/c1-4-5-9-15(11-13(3)21)20-18-16(17-19-20)14-8-6-7-12(2)10-14/h6-8,10,15H,4-5,9,11H2,1-3H3/t15-/m0/s1