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

Systemtic Name: [6-[2-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridazin-3-yl] butanoate Openeye Name: [6-[2-(4,4-diethylthiochroman-6-yl)ethynyl]pyridazin-3-yl] butanoate CAS Name: butanoic acid [6-[2-(4,4-diethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-3-pyridazinyl] ester IUPAC Name: [6-[2-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridazin-3-yl] butanoate Traditional Name: butyric acid [6-[2-(4,4-diethylthiochroman-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)SCCC3(CC)CC

Isomeric SMILES

CCCC(=O)OC1=NN=C(C=C1)C#CC2=CC3=C(C=C2)SCCC3(CC)CC

InChI

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