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

Systemtic Name: 3-(2-methylphenyl)sulfanyl-2-[(1-phenyl-2,3-dihydro-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,5-diene-1,4-dione Openeye Name: 3-(o-tolylsulfanyl)-2-[(1-phenyl-2,3-dihydrotetrazol-5-yl)sulfanyl]-5-(1,1,3,3-tetramethylbutyl)-1,4-benzoquinone CAS Name: 3-[(2-methylphenyl)thio]-2-[(1-phenyl-2,3-dihydrotetrazol-5-yl)thio]-5-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 3-(2-methylphenyl)sulfanyl-2-[(1-phenyl-2,3-dihydrotetrazol-5-yl)sulfanyl]-5-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,5-diene-1,4-dione Traditional Name: 3-(o-tolylthio)-2-[(1-phenyl-2,3-dihydrotetrazol-5-yl)thio]-5-(1,1,3,3-tetramethylbutyl)-p-benzoquinone Formula: C28H32N4O2S2 MolecularWeight: 520.70928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC2=C(C(=O)C=C(C2=O)C(C)(C)CC(C)(C)C)SC3=NNNN3C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1SC2=C(C(=O)C=C(C2=O)C(C)(C)CC(C)(C)C)SC3=NNNN3C4=CC=CC=C4

InChI

InChI=1S/C28H32N4O2S2/c1-18-12-10-11-15-22(18)35-25-23(34)20(28(5,6)17-27(2,3)4)16-21(33)24(25)36-26-29-30-31-32(26)19-13-8-7-9-14-19/h7-16,30-31H,17H2,1-6H3