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

Systemtic Name: 2-[6-[2-(7-ethyl-2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]pyridazin-3-yl]ethanoate Openeye Name: 2-[6-[2-(7-ethyl-2,2,4,4-tetramethyl-thiochroman-6-yl)ethynyl]pyridazin-3-yl]acetate CAS Name: 2-[6-[2-(7-ethyl-2,2,4,4-tetramethyl-3H-1-benzothiopyran-6-yl)ethynyl]-3-pyridazinyl]acetate IUPAC Name: 2-[6-[2-(7-ethyl-2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]pyridazin-3-yl]acetate Traditional Name: 2-[6-[2-(7-ethyl-2,2,4,4-tetramethyl-thiochroman-6-yl)ethynyl]pyridazin-3-yl]acetate Formula: C23H25N2O2S- MolecularWeight: 393.5218

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C#CC3=NN=C(C=C3)CC(=O)[O-])C(CC(S2)(C)C)(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1C#CC3=NN=C(C=C3)CC(=O)[O-])C(CC(S2)(C)C)(C)C

InChI

InChI=1S/C23H26N2O2S/c1-6-15-12-20-19(22(2,3)14-23(4,5)28-20)11-16(15)7-8-17-9-10-18(25-24-17)13-21(26)27/h9-12H,6,13-14H2,1-5H3,(H,26,27)/p-1