5,5-dimethyl-2-[(5-tridecyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[(5-tridecyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[(5-tridecyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[(5-tridecyl-1H-1,2,4-triazol-3-yl)thio]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[(5-tridecyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[(5-tridecyl-1H-1,2,4-triazol-3-yl)thio]cyclohexane-1,3-quinone Formula: C23H39N3O2S MolecularWeight: 421.63966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=NC(=NN1)SC2C(=O)CC(CC2=O)(C)C

Isomeric SMILES

CCCCCCCCCCCCCC1=NC(=NN1)SC2C(=O)CC(CC2=O)(C)C

InChI

InChI=1S/C23H39N3O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-24-22(26-25-20)29-21-18(27)16-23(2,3)17-19(21)28/h21H,4-17H2,1-3H3,(H,24,25,26)