6-ethynyl-2,2,4,4,7-pentamethyl-3H-thiochromene

Systemtic Name: 6-ethynyl-2,2,4,4,7-pentamethyl-3H-thiochromene Openeye Name: 6-ethynyl-2,2,4,4,7-pentamethyl-thiochromane CAS Name: 6-ethynyl-2,2,4,4,7-pentamethyl-3H-1-benzothiopyran IUPAC Name: 6-ethynyl-2,2,4,4,7-pentamethyl-3H-thiochromene Traditional Name: 6-ethynyl-2,2,4,4,7-pentamethyl-thiochroman Formula: C16H20S MolecularWeight: 244.395

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C#C)C(CC(S2)(C)C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1C#C)C(CC(S2)(C)C)(C)C

InChI

InChI=1S/C16H20S/c1-7-12-9-13-14(8-11(12)2)17-16(5,6)10-15(13,3)4/h1,8-9H,10H2,2-6H3