2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-6-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-6-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-(1-phenyltetrazol-5-yl)sulfanyl-6-(1,1,3,3-tetramethylbutyl)-1,4-benzoquinone CAS Name: 2-[(1-phenyl-5-tetrazolyl)thio]-6-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-(1-phenyltetrazol-5-yl)sulfanyl-6-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[(1-phenyltetrazol-5-yl)thio]-6-(1,1,3,3-tetramethylbutyl)-p-benzoquinone Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC(=O)C=C(C1=O)SC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC(=O)C=C(C1=O)SC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-20(2,3)13-21(4,5)16-11-15(26)12-17(18(16)27)28-19-22-23-24-25(19)14-9-7-6-8-10-14/h6-12H,13H2,1-5H3