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

Systemtic Name: 2-[6-[2-(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridazin-3-yl]ethanoate Openeye Name: 2-[6-[2-(4,4,7-trimethylthiochroman-6-yl)ethynyl]pyridazin-3-yl]acetate CAS Name: 2-[6-[2-(4,4,7-trimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-3-pyridazinyl]acetate IUPAC Name: 2-[6-[2-(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridazin-3-yl]acetate Traditional Name: 2-[6-[2-(4,4,7-trimethylthiochroman-6-yl)ethynyl]pyridazin-3-yl]acetate Formula: C20H19N2O2S- MolecularWeight: 351.44206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C#CC3=NN=C(C=C3)CC(=O)[O-])C(CCS2)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1C#CC3=NN=C(C=C3)CC(=O)[O-])C(CCS2)(C)C

InChI

InChI=1S/C20H20N2O2S/c1-13-10-18-17(20(2,3)8-9-25-18)11-14(13)4-5-15-6-7-16(22-21-15)12-19(23)24/h6-7,10-11H,8-9,12H2,1-3H3,(H,23,24)/p-1