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

Systemtic Name: 2-decylsulfanyl-6-[(1-phenyl-2,3-dihydro-1,2,3,4-tetrazol-5-yl)sulfanyl]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-decylsulfanyl-6-[(1-phenyl-2,3-dihydrotetrazol-5-yl)sulfanyl]-1,4-benzoquinone CAS Name: 2-(decylthio)-6-[(1-phenyl-2,3-dihydrotetrazol-5-yl)thio]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-decylsulfanyl-6-[(1-phenyl-2,3-dihydrotetrazol-5-yl)sulfanyl]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-(decylthio)-6-[(1-phenyl-2,3-dihydrotetrazol-5-yl)thio]-p-benzoquinone Formula: C23H30N4O2S2 MolecularWeight: 458.6399

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=CC(=O)C=C(C1=O)SC2=NNNN2C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCSC1=CC(=O)C=C(C1=O)SC2=NNNN2C3=CC=CC=C3

InChI

InChI=1S/C23H30N4O2S2/c1-2-3-4-5-6-7-8-12-15-30-20-16-19(28)17-21(22(20)29)31-23-24-25-26-27(23)18-13-10-9-11-14-18/h9-11,13-14,16-17,25-26H,2-8,12,15H2,1H3