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

Systemtic Name: 2-tert-butyl-5-[(1-phenyl-2,3-dihydro-1,2,3,4-tetrazol-5-yl)sulfanyl]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-tert-butyl-5-[(1-phenyl-2,3-dihydrotetrazol-5-yl)sulfanyl]-1,4-benzoquinone CAS Name: 2-tert-butyl-5-[(1-phenyl-2,3-dihydrotetrazol-5-yl)thio]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-tert-butyl-5-[(1-phenyl-2,3-dihydrotetrazol-5-yl)sulfanyl]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-tert-butyl-5-[(1-phenyl-2,3-dihydrotetrazol-5-yl)thio]-p-benzoquinone Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)C(=CC1=O)SC2=NNNN2C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=O)C(=CC1=O)SC2=NNNN2C3=CC=CC=C3

InChI

InChI=1S/C17H18N4O2S/c1-17(2,3)12-9-14(23)15(10-13(12)22)24-16-18-19-20-21(16)11-7-5-4-6-8-11/h4-10,19-20H,1-3H3