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

Systemtic Name: 2-dodecylsulfanyl-6-[(1-phenyl-2,3-dihydro-1,2,3,4-tetrazol-5-yl)sulfanyl]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-dodecylsulfanyl-6-[(1-phenyl-2,3-dihydrotetrazol-5-yl)sulfanyl]-1,4-benzoquinone CAS Name: 2-(dodecylthio)-6-[(1-phenyl-2,3-dihydrotetrazol-5-yl)thio]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-dodecylsulfanyl-6-[(1-phenyl-2,3-dihydrotetrazol-5-yl)sulfanyl]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-(laurylthio)-6-[(1-phenyl-2,3-dihydrotetrazol-5-yl)thio]-p-benzoquinone Formula: C25H34N4O2S2 MolecularWeight: 486.69306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=CC(=O)C=C(C1=O)SC2=NNNN2C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCSC1=CC(=O)C=C(C1=O)SC2=NNNN2C3=CC=CC=C3

InChI

InChI=1S/C25H34N4O2S2/c1-2-3-4-5-6-7-8-9-10-14-17-32-22-18-21(30)19-23(24(22)31)33-25-26-27-28-29(25)20-15-12-11-13-16-20/h11-13,15-16,18-19,27-28H,2-10,14,17H2,1H3