5-decylsulfanyl-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-decylsulfanyl-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-decylsulfanyl-2-[(1-phenyl-2,3-dihydrotetrazol-5-yl)sulfanyl]-3-phenylsulfanyl-1,4-benzoquinone CAS Name: 5-(decylthio)-2-[(1-phenyl-2,3-dihydrotetrazol-5-yl)thio]-3-(phenylthio)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 5-decylsulfanyl-2-[(1-phenyl-2,3-dihydrotetrazol-5-yl)sulfanyl]-3-phenylsulfanylcyclohexa-2,5-diene-1,4-dione Traditional Name: 5-(decylthio)-2-[(1-phenyl-2,3-dihydrotetrazol-5-yl)thio]-3-(phenylthio)-p-benzoquinone Formula: C29H34N4O2S3 MolecularWeight: 566.80086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=CC(=O)C(=C(C1=O)SC2=CC=CC=C2)SC3=NNNN3C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCSC1=CC(=O)C(=C(C1=O)SC2=CC=CC=C2)SC3=NNNN3C4=CC=CC=C4

InChI

InChI=1S/C29H34N4O2S3/c1-2-3-4-5-6-7-8-15-20-36-25-21-24(34)27(28(26(25)35)37-23-18-13-10-14-19-23)38-29-30-31-32-33(29)22-16-11-9-12-17-22/h9-14,16-19,21,31-32H,2-8,15,20H2,1H3