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

Systemtic Name: [6-[2-(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridazin-3-yl] butanoate Openeye Name: [6-[2-(4,4,7-trimethylthiochroman-6-yl)ethynyl]pyridazin-3-yl] butanoate CAS Name: butanoic acid [6-[2-(4,4,7-trimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-3-pyridazinyl] ester IUPAC Name: [6-[2-(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridazin-3-yl] butanoate Traditional Name: butyric acid [6-[2-(4,4,7-trimethylthiochroman-6-yl)ethynyl]pyridazin-3-yl] ester Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=NN=C(C=C1)C#CC2=CC3=C(C=C2C)SCCC3(C)C

Isomeric SMILES

CCCC(=O)OC1=NN=C(C=C1)C#CC2=CC3=C(C=C2C)SCCC3(C)C

InChI

InChI=1S/C22H24N2O2S/c1-5-6-21(25)26-20-10-9-17(23-24-20)8-7-16-14-18-19(13-15(16)2)27-12-11-22(18,3)4/h9-10,13-14H,5-6,11-12H2,1-4H3