2-octyl-6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-octyl-6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-octyl-6-(1-phenyltetrazol-5-yl)sulfanyl-1,4-benzoquinone CAS Name: 2-octyl-6-[(1-phenyl-5-tetrazolyl)thio]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-octyl-6-(1-phenyltetrazol-5-yl)sulfanylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2-octyl-6-[(1-phenyltetrazol-5-yl)thio]-p-benzoquinone Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=O)C=C(C1=O)SC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC1=CC(=O)C=C(C1=O)SC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-2-3-4-5-6-8-11-16-14-18(26)15-19(20(16)27)28-21-22-23-24-25(21)17-12-9-7-10-13-17/h7,9-10,12-15H,2-6,8,11H2,1H3