2-[(2S)-octan-2-yl]-5-phenyl-1,2,3,4-tetrazole

Systemtic Name: 2-[(2S)-octan-2-yl]-5-phenyl-1,2,3,4-tetrazole Openeye Name: 2-[(1S)-1-methylheptyl]-5-phenyl-tetrazole CAS Name: 2-[(2S)-octan-2-yl]-5-phenyltetrazole IUPAC Name: 2-[(2S)-octan-2-yl]-5-phenyltetrazole Traditional Name: 2-[(1S)-1-methylheptyl]-5-phenyl-tetrazole Formula: C15H22N4 MolecularWeight: 258.36198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4/c1-3-4-5-7-10-13(2)19-17-15(16-18-19)14-11-8-6-9-12-14/h6,8-9,11-13H,3-5,7,10H2,1-2H3/t13-/m0/s1