4-ethynyl-2,2-dimethyl-3,4-dihydrothiochromene

Systemtic Name: 4-ethynyl-2,2-dimethyl-3,4-dihydrothiochromene Openeye Name: 4-ethynyl-2,2-dimethyl-thiochromane CAS Name: 4-ethynyl-2,2-dimethyl-3,4-dihydro-1-benzothiopyran IUPAC Name: 4-ethynyl-2,2-dimethyl-3,4-dihydrothiochromene Traditional Name: 4-ethynyl-2,2-dimethyl-thiochroman Formula: C13H14S MolecularWeight: 202.31526

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=CC=CC=C2S1)C#C)C

Isomeric SMILES

CC1(CC(C2=CC=CC=C2S1)C#C)C

InChI

InChI=1S/C13H14S/c1-4-10-9-13(2,3)14-12-8-6-5-7-11(10)12/h1,5-8,10H,9H2,2-3H3