2-(3-fluoranyl-4-isothiocyanato-5-methyl-phenyl)-5-(4-methylcyclohexyl)-1,3-dioxane

Systemtic Name: 2-(3-fluoranyl-4-isothiocyanato-5-methyl-phenyl)-5-(4-methylcyclohexyl)-1,3-dioxane Openeye Name: 2-(3-fluoro-4-isothiocyanato-5-methyl-phenyl)-5-(4-methylcyclohexyl)-1,3-dioxane CAS Name: 2-(3-fluoro-4-isothiocyanato-5-methylphenyl)-5-(4-methylcyclohexyl)-1,3-dioxane IUPAC Name: 2-(3-fluoro-4-isothiocyanato-5-methylphenyl)-5-(4-methylcyclohexyl)-1,3-dioxane Traditional Name: 2-(3-fluoro-4-isothiocyanato-5-methyl-phenyl)-5-(4-methylcyclohexyl)-1,3-dioxane Formula: C19H24FNO2S MolecularWeight: 349.462763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C2COC(OC2)C3=CC(=C(C(=C3)F)N=C=S)C

Isomeric SMILES

CC1CCC(CC1)C2COC(OC2)C3=CC(=C(C(=C3)F)N=C=S)C

InChI

InChI=1S/C19H24FNO2S/c1-12-3-5-14(6-4-12)16-9-22-19(23-10-16)15-7-13(2)18(21-11-24)17(20)8-15/h7-8,12,14,16,19H,3-6,9-10H2,1-2H3