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

Systemtic Name: 2-methyl-3-[(1-phenyl-2,3-dihydro-1,2,3,4-tetrazol-5-yl)sulfanyl]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-methyl-3-[(1-phenyl-2,3-dihydrotetrazol-5-yl)sulfanyl]-1,4-benzoquinone CAS Name: 2-methyl-3-[(1-phenyl-2,3-dihydrotetrazol-5-yl)thio]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-methyl-3-[(1-phenyl-2,3-dihydrotetrazol-5-yl)sulfanyl]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-methyl-3-[(1-phenyl-2,3-dihydrotetrazol-5-yl)thio]-p-benzoquinone Formula: C14H12N4O2S MolecularWeight: 300.33568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4O2S/c1-9-11(19)7-8-12(20)13(9)21-14-15-16-17-18(14)10-5-3-2-4-6-10/h2-8,16-17H,1H3