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

Systemtic Name: 2-octadecylsulfanyl-5-[(1-phenyl-2,3-dihydro-1,2,3,4-tetrazol-5-yl)sulfanyl]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-octadecylsulfanyl-5-[(1-phenyl-2,3-dihydrotetrazol-5-yl)sulfanyl]-1,4-benzoquinone CAS Name: 2-(octadecylthio)-5-[(1-phenyl-2,3-dihydrotetrazol-5-yl)thio]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-octadecylsulfanyl-5-[(1-phenyl-2,3-dihydrotetrazol-5-yl)sulfanyl]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[(1-phenyl-2,3-dihydrotetrazol-5-yl)thio]-5-(stearylthio)-p-benzoquinone Formula: C31H46N4O2S2 MolecularWeight: 570.85254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=CC(=O)C(=CC1=O)SC2=NNNN2C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=CC(=O)C(=CC1=O)SC2=NNNN2C3=CC=CC=C3

InChI

InChI=1S/C31H46N4O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-38-29-24-28(37)30(25-27(29)36)39-31-32-33-34-35(31)26-21-18-17-19-22-26/h17-19,21-22,24-25,33-34H,2-16,20,23H2,1H3