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

Systemtic Name: 5-octadecylsulfanyl-2-[(1-phenyl-2,3-dihydro-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-phenylsulfanyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 5-octadecylsulfanyl-2-[(1-phenyl-2,3-dihydrotetrazol-5-yl)sulfanyl]-3-phenylsulfanyl-1,4-benzoquinone CAS Name: 5-(octadecylthio)-2-[(1-phenyl-2,3-dihydrotetrazol-5-yl)thio]-3-(phenylthio)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 5-octadecylsulfanyl-2-[(1-phenyl-2,3-dihydrotetrazol-5-yl)sulfanyl]-3-phenylsulfanylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[(1-phenyl-2,3-dihydrotetrazol-5-yl)thio]-3-(phenylthio)-5-(stearylthio)-p-benzoquinone Formula: C37H50N4O2S3 MolecularWeight: 679.0135

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=CC(=O)C(=C(C1=O)SC2=CC=CC=C2)SC3=NNNN3C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=CC(=O)C(=C(C1=O)SC2=CC=CC=C2)SC3=NNNN3C4=CC=CC=C4

InChI

InChI=1S/C37H50N4O2S3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-44-33-29-32(42)35(36(34(33)43)45-31-26-21-18-22-27-31)46-37-38-39-40-41(37)30-24-19-17-20-25-30/h17-22,24-27,29,39-40H,2-16,23,28H2,1H3