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

Systemtic Name: 2-(3-fluoranyl-4-isothiocyanato-phenyl)-5-methyl-1,3-dioxane Openeye Name: 2-(3-fluoro-4-isothiocyanato-phenyl)-5-methyl-1,3-dioxane CAS Name: 2-(3-fluoro-4-isothiocyanatophenyl)-5-methyl-1,3-dioxane IUPAC Name: 2-(3-fluoro-4-isothiocyanatophenyl)-5-methyl-1,3-dioxane Traditional Name: 2-(3-fluoro-4-isothiocyanato-phenyl)-5-methyl-1,3-dioxane Formula: C12H12FNO2S MolecularWeight: 253.292583

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Descriptors Computed from Structure

Canonical SMILES:

CC1COC(OC1)C2=CC(=C(C=C2)N=C=S)F

Isomeric SMILES

CC1COC(OC1)C2=CC(=C(C=C2)N=C=S)F

InChI

InChI=1S/C12H12FNO2S/c1-8-5-15-12(16-6-8)9-2-3-11(14-7-17)10(13)4-9/h2-4,8,12H,5-6H2,1H3