2-[6-[2-(7-hexyl-2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]pyridazin-3-yl]ethanoate

Systemtic Name: 2-[6-[2-(7-hexyl-2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]pyridazin-3-yl]ethanoate Openeye Name: 2-[6-[2-(7-hexyl-2,2,4,4-tetramethyl-thiochroman-6-yl)ethynyl]pyridazin-3-yl]acetate CAS Name: 2-[6-[2-(7-hexyl-2,2,4,4-tetramethyl-3H-1-benzothiopyran-6-yl)ethynyl]-3-pyridazinyl]acetate IUPAC Name: 2-[6-[2-(7-hexyl-2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]pyridazin-3-yl]acetate Traditional Name: 2-[6-[2-(7-hexyl-2,2,4,4-tetramethyl-thiochroman-6-yl)ethynyl]pyridazin-3-yl]acetate Formula: C27H33N2O2S- MolecularWeight: 449.62812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1C#CC3=NN=C(C=C3)CC(=O)[O-])C(CC(S2)(C)C)(C)C

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1C#CC3=NN=C(C=C3)CC(=O)[O-])C(CC(S2)(C)C)(C)C

InChI

InChI=1S/C27H34N2O2S/c1-6-7-8-9-10-19-16-24-23(26(2,3)18-27(4,5)32-24)15-20(19)11-12-21-13-14-22(29-28-21)17-25(30)31/h13-16H,6-10,17-18H2,1-5H3,(H,30,31)/p-1