5-dodecylsulfanyl-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-dodecylsulfanyl-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-dodecylsulfanyl-2-[(1-phenyl-2,3-dihydrotetrazol-5-yl)sulfanyl]-3-phenylsulfanyl-1,4-benzoquinone CAS Name: 5-(dodecylthio)-2-[(1-phenyl-2,3-dihydrotetrazol-5-yl)thio]-3-(phenylthio)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 5-dodecylsulfanyl-2-[(1-phenyl-2,3-dihydrotetrazol-5-yl)sulfanyl]-3-phenylsulfanylcyclohexa-2,5-diene-1,4-dione Traditional Name: 5-(laurylthio)-2-[(1-phenyl-2,3-dihydrotetrazol-5-yl)thio]-3-(phenylthio)-p-benzoquinone Formula: C31H38N4O2S3 MolecularWeight: 594.85402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=CC(=O)C(=C(C1=O)SC2=CC=CC=C2)SC3=NNNN3C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCSC1=CC(=O)C(=C(C1=O)SC2=CC=CC=C2)SC3=NNNN3C4=CC=CC=C4

InChI

InChI=1S/C31H38N4O2S3/c1-2-3-4-5-6-7-8-9-10-17-22-38-27-23-26(36)29(30(28(27)37)39-25-20-15-12-16-21-25)40-31-32-33-34-35(31)24-18-13-11-14-19-24/h11-16,18-21,23,33-34H,2-10,17,22H2,1H3