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

Systemtic Name: 2-hexadecylsulfanyl-5-[(1-phenyl-2,3-dihydro-1,2,3,4-tetrazol-5-yl)sulfanyl]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-hexadecylsulfanyl-5-[(1-phenyl-2,3-dihydrotetrazol-5-yl)sulfanyl]-1,4-benzoquinone CAS Name: 2-(hexadecylthio)-5-[(1-phenyl-2,3-dihydrotetrazol-5-yl)thio]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-hexadecylsulfanyl-5-[(1-phenyl-2,3-dihydrotetrazol-5-yl)sulfanyl]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-(cetylthio)-5-[(1-phenyl-2,3-dihydrotetrazol-5-yl)thio]-p-benzoquinone Formula: C29H42N4O2S2 MolecularWeight: 542.79938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=CC(=O)C(=CC1=O)SC2=NNNN2C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=CC(=O)C(=CC1=O)SC2=NNNN2C3=CC=CC=C3

InChI

InChI=1S/C29H42N4O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-36-27-22-26(35)28(23-25(27)34)37-29-30-31-32-33(29)24-19-16-15-17-20-24/h15-17,19-20,22-23,31-32H,2-14,18,21H2,1H3