2-dodecylsulfanyl-5-(1-phenyl-2,3-dihydro-1,2,3,4-tetrazol-5-yl)cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-dodecylsulfanyl-5-(1-phenyl-2,3-dihydro-1,2,3,4-tetrazol-5-yl)cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-dodecylsulfanyl-5-(1-phenyl-2,3-dihydrotetrazol-5-yl)-1,4-benzoquinone CAS Name: 2-(dodecylthio)-5-(1-phenyl-2,3-dihydrotetrazol-5-yl)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-dodecylsulfanyl-5-(1-phenyl-2,3-dihydrotetrazol-5-yl)cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-(laurylthio)-5-(1-phenyl-2,3-dihydrotetrazol-5-yl)-p-benzoquinone Formula: C25H34N4O2S MolecularWeight: 454.62806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=CC(=O)C(=CC1=O)C2=NNNN2C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCSC1=CC(=O)C(=CC1=O)C2=NNNN2C3=CC=CC=C3

InChI

InChI=1S/C25H34N4O2S/c1-2-3-4-5-6-7-8-9-10-14-17-32-24-19-22(30)21(18-23(24)31)25-26-27-28-29(25)20-15-12-11-13-16-20/h11-13,15-16,18-19,27-28H,2-10,14,17H2,1H3