2-octylsulfanyl-5-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-octylsulfanyl-5-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-octylsulfanyl-5-(1-phenyltetrazol-5-yl)sulfanyl-1,4-benzoquinone CAS Name: 2-(octylthio)-5-[(1-phenyl-5-tetrazolyl)thio]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-octylsulfanyl-5-(1-phenyltetrazol-5-yl)sulfanylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2-(octylthio)-5-[(1-phenyltetrazol-5-yl)thio]-p-benzoquinone Formula: C21H24N4O2S2 MolecularWeight: 428.57086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=CC(=O)C(=CC1=O)SC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCSC1=CC(=O)C(=CC1=O)SC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2S2/c1-2-3-4-5-6-10-13-28-19-14-18(27)20(15-17(19)26)29-21-22-23-24-25(21)16-11-8-7-9-12-16/h7-9,11-12,14-15H,2-6,10,13H2,1H3