5,5-dimethyl-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanyl-cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[(1-phenyl-5-tetrazolyl)thio]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylcyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[(1-phenyltetrazol-5-yl)thio]cyclohexane-1,3-quinone Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)SC2=NN=NN2C3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)SC2=NN=NN2C3=CC=CC=C3)C

InChI

InChI=1S/C15H16N4O2S/c1-15(2)8-11(20)13(12(21)9-15)22-14-16-17-18-19(14)10-6-4-3-5-7-10/h3-7,13H,8-9H2,1-2H3