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

Systemtic Name: 5,5-dimethyl-2-[(5-nonyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[(5-nonyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[(5-nonyl-1H-1,2,4-triazol-3-yl)thio]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[(5-nonyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[(5-nonyl-1H-1,2,4-triazol-3-yl)thio]cyclohexane-1,3-quinone Formula: C19H31N3O2S MolecularWeight: 365.53334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=NC(=NN1)SC2C(=O)CC(CC2=O)(C)C

Isomeric SMILES

CCCCCCCCCC1=NC(=NN1)SC2C(=O)CC(CC2=O)(C)C

InChI

InChI=1S/C19H31N3O2S/c1-4-5-6-7-8-9-10-11-16-20-18(22-21-16)25-17-14(23)12-19(2,3)13-15(17)24/h17H,4-13H2,1-3H3,(H,20,21,22)