2-(3,4,5-trimethylcyclohexyl)-1,2-thiazol-3-one

Systemtic Name: 2-(3,4,5-trimethylcyclohexyl)-1,2-thiazol-3-one Openeye Name: 2-(3,4,5-trimethylcyclohexyl)isothiazol-3-one CAS Name: 2-(3,4,5-trimethylcyclohexyl)-3-isothiazolone IUPAC Name: 2-(3,4,5-trimethylcyclohexyl)-1,2-thiazol-3-one Traditional Name: 2-(3,4,5-trimethylcyclohexyl)-4-isothiazolin-3-one Formula: C12H19NOS MolecularWeight: 225.35036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1C)C)N2C(=O)C=CS2

Isomeric SMILES

CC1CC(CC(C1C)C)N2C(=O)C=CS2

InChI

InChI=1S/C12H19NOS/c1-8-6-11(7-9(2)10(8)3)13-12(14)4-5-15-13/h4-5,8-11H,6-7H2,1-3H3