6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]hexan-2-one

Systemtic Name: 6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]hexan-2-one Openeye Name: 6-(1-phenyltetrazol-5-yl)sulfanylhexan-2-one CAS Name: 6-[(1-phenyl-5-tetrazolyl)thio]-2-hexanone IUPAC Name: 6-(1-phenyltetrazol-5-yl)sulfanylhexan-2-one Traditional Name: 6-[(1-phenyltetrazol-5-yl)thio]hexan-2-one Formula: C13H16N4OS MolecularWeight: 276.35734

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCSC1=NN=NN1C2=CC=CC=C2

Isomeric SMILES

CC(=O)CCCCSC1=NN=NN1C2=CC=CC=C2

InChI

InChI=1S/C13H16N4OS/c1-11(18)7-5-6-10-19-13-14-15-16-17(13)12-8-3-2-4-9-12/h2-4,8-9H,5-7,10H2,1H3