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

Systemtic Name: 5-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]pentan-2-one Openeye Name: 5-(1-phenyltetrazol-5-yl)sulfanylpentan-2-one CAS Name: 5-[(1-phenyl-5-tetrazolyl)thio]-2-pentanone IUPAC Name: 5-(1-phenyltetrazol-5-yl)sulfanylpentan-2-one Traditional Name: 5-[(1-phenyltetrazol-5-yl)thio]pentan-2-one Formula: C12H14N4OS MolecularWeight: 262.33076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCSC1=NN=NN1C2=CC=CC=C2

Isomeric SMILES

CC(=O)CCCSC1=NN=NN1C2=CC=CC=C2

InChI

InChI=1S/C12H14N4OS/c1-10(17)6-5-9-18-12-13-14-15-16(12)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9H2,1H3