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

Systemtic Name: 6-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]hexan-3-one Openeye Name: 6-(1-methyltetrazol-5-yl)sulfanylhexan-3-one CAS Name: 6-[(1-methyl-5-tetrazolyl)thio]-3-hexanone IUPAC Name: 6-(1-methyltetrazol-5-yl)sulfanylhexan-3-one Traditional Name: 6-[(1-methyltetrazol-5-yl)thio]hexan-3-one Formula: C8H14N4OS MolecularWeight: 214.28796

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CCCSC1=NN=NN1C

Isomeric SMILES

CCC(=O)CCCSC1=NN=NN1C

InChI

InChI=1S/C8H14N4OS/c1-3-7(13)5-4-6-14-8-9-10-11-12(8)2/h3-6H2,1-2H3