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

Systemtic Name: 5,5-dimethyl-2-[(5-pentyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[(5-pentyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[(5-pentyl-1H-1,2,4-triazol-3-yl)thio]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[(5-pentyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexane-1,3-dione Traditional Name: 2-[(5-amyl-1H-1,2,4-triazol-3-yl)thio]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C15H23N3O2S MolecularWeight: 309.42702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC(=NN1)SC2C(=O)CC(CC2=O)(C)C

Isomeric SMILES

CCCCCC1=NC(=NN1)SC2C(=O)CC(CC2=O)(C)C

InChI

InChI=1S/C15H23N3O2S/c1-4-5-6-7-12-16-14(18-17-12)21-13-10(19)8-15(2,3)9-11(13)20/h13H,4-9H2,1-3H3,(H,16,17,18)