2-[6-[2-(4,4,7-triethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridazin-3-yl]ethanoate

Systemtic Name: 2-[6-[2-(4,4,7-triethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridazin-3-yl]ethanoate Openeye Name: 2-[6-[2-(4,4,7-triethylthiochroman-6-yl)ethynyl]pyridazin-3-yl]acetate CAS Name: 2-[6-[2-(4,4,7-triethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-3-pyridazinyl]acetate IUPAC Name: 2-[6-[2-(4,4,7-triethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridazin-3-yl]acetate Traditional Name: 2-[6-[2-(4,4,7-triethylthiochroman-6-yl)ethynyl]pyridazin-3-yl]acetate Formula: C23H25N2O2S- MolecularWeight: 393.5218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C#CC3=NN=C(C=C3)CC(=O)[O-])C(CCS2)(CC)CC

Isomeric SMILES

CCC1=CC2=C(C=C1C#CC3=NN=C(C=C3)CC(=O)[O-])C(CCS2)(CC)CC

InChI

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