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

Systemtic Name: 2-pentadecylsulfanyl-5-[(1-phenyl-2,3-dihydro-1,2,3,4-tetrazol-5-yl)sulfanyl]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-pentadecylsulfanyl-5-[(1-phenyl-2,3-dihydrotetrazol-5-yl)sulfanyl]-1,4-benzoquinone CAS Name: 2-(pentadecylthio)-5-[(1-phenyl-2,3-dihydrotetrazol-5-yl)thio]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-pentadecylsulfanyl-5-[(1-phenyl-2,3-dihydrotetrazol-5-yl)sulfanyl]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-(pentadecylthio)-5-[(1-phenyl-2,3-dihydrotetrazol-5-yl)thio]-p-benzoquinone Formula: C28H40N4O2S2 MolecularWeight: 528.7728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCSC1=CC(=O)C(=CC1=O)SC2=NNNN2C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCSC1=CC(=O)C(=CC1=O)SC2=NNNN2C3=CC=CC=C3

InChI

InChI=1S/C28H40N4O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-35-26-21-25(34)27(22-24(26)33)36-28-29-30-31-32(28)23-18-15-14-16-19-23/h14-16,18-19,21-22,30-31H,2-13,17,20H2,1H3