6-ethynyl-7-fluoranyl-2,2-dimethyl-3H-thiochromen-4-one

Systemtic Name: 6-ethynyl-7-fluoranyl-2,2-dimethyl-3H-thiochromen-4-one Openeye Name: 6-ethynyl-7-fluoro-2,2-dimethyl-thiochroman-4-one CAS Name: 6-ethynyl-7-fluoro-2,2-dimethyl-3H-1-benzothiopyran-4-one IUPAC Name: 6-ethynyl-7-fluoro-2,2-dimethyl-3H-thiochromen-4-one Traditional Name: 6-ethynyl-7-fluoro-2,2-dimethyl-thiochroman-4-one Formula: C13H11FOS MolecularWeight: 234.289243

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=C(S1)C=C(C(=C2)C#C)F)C

Isomeric SMILES

CC1(CC(=O)C2=C(S1)C=C(C(=C2)C#C)F)C

InChI

InChI=1S/C13H11FOS/c1-4-8-5-9-11(15)7-13(2,3)16-12(9)6-10(8)14/h1,5-6H,7H2,2-3H3