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

Systemtic Name: [6-[2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]pyridazin-3-yl] butanoate Openeye Name: [6-[2-(2,2,4,4-tetramethylthiochroman-6-yl)ethynyl]pyridazin-3-yl] butanoate CAS Name: butanoic acid [6-[2-(2,2,4,4-tetramethyl-3H-1-benzothiopyran-6-yl)ethynyl]-3-pyridazinyl] ester IUPAC Name: [6-[2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]pyridazin-3-yl] butanoate Traditional Name: butyric acid [6-[2-(2,2,4,4-tetramethylthiochroman-6-yl)ethynyl]pyridazin-3-yl] ester Formula: C23H26N2O2S MolecularWeight: 394.52974

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=NN=C(C=C1)C#CC2=CC3=C(C=C2)SC(CC3(C)C)(C)C

Isomeric SMILES

CCCC(=O)OC1=NN=C(C=C1)C#CC2=CC3=C(C=C2)SC(CC3(C)C)(C)C

InChI

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