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

Systemtic Name: 5,5-dimethyl-2-[(5-undecyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[(5-undecyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[(5-undecyl-1H-1,2,4-triazol-3-yl)thio]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[(5-undecyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[(5-undecyl-1H-1,2,4-triazol-3-yl)thio]cyclohexane-1,3-quinone Formula: C21H35N3O2S MolecularWeight: 393.5865

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=NC(=NN1)SC2C(=O)CC(CC2=O)(C)C

Isomeric SMILES

CCCCCCCCCCCC1=NC(=NN1)SC2C(=O)CC(CC2=O)(C)C

InChI

InChI=1S/C21H35N3O2S/c1-4-5-6-7-8-9-10-11-12-13-18-22-20(24-23-18)27-19-16(25)14-21(2,3)15-17(19)26/h19H,4-15H2,1-3H3,(H,22,23,24)