3-methyl-1-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]octan-3-ol

Systemtic Name: 3-methyl-1-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]octan-3-ol Openeye Name: 3-methyl-1-(1-phenyltetrazol-5-yl)sulfanyl-octan-3-ol CAS Name: 3-methyl-1-[(1-phenyl-5-tetrazolyl)thio]-3-octanol IUPAC Name: 3-methyl-1-(1-phenyltetrazol-5-yl)sulfanyloctan-3-ol Traditional Name: 3-methyl-1-[(1-phenyltetrazol-5-yl)thio]octan-3-ol Formula: C16H24N4OS MolecularWeight: 320.45296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(CCSC1=NN=NN1C2=CC=CC=C2)O

Isomeric SMILES

CCCCCC(C)(CCSC1=NN=NN1C2=CC=CC=C2)O

InChI

InChI=1S/C16H24N4OS/c1-3-4-8-11-16(2,21)12-13-22-15-17-18-19-20(15)14-9-6-5-7-10-14/h5-7,9-10,21H,3-4,8,11-13H2,1-2H3