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

Systemtic Name: [6-[2-(4,4,7-triethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridazin-3-yl] butanoate Openeye Name: [6-[2-(4,4,7-triethylthiochroman-6-yl)ethynyl]pyridazin-3-yl] butanoate CAS Name: butanoic acid [6-[2-(4,4,7-triethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-3-pyridazinyl] ester IUPAC Name: [6-[2-(4,4,7-triethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridazin-3-yl] butanoate Traditional Name: butyric acid [6-[2-(4,4,7-triethylthiochroman-6-yl)ethynyl]pyridazin-3-yl] ester Formula: C25H30N2O2S MolecularWeight: 422.5829

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=NN=C(C=C1)C#CC2=CC3=C(C=C2CC)SCCC3(CC)CC

Isomeric SMILES

CCCC(=O)OC1=NN=C(C=C1)C#CC2=CC3=C(C=C2CC)SCCC3(CC)CC

InChI

InChI=1S/C25H30N2O2S/c1-5-9-24(28)29-23-13-12-20(26-27-23)11-10-19-16-21-22(17-18(19)6-2)30-15-14-25(21,7-3)8-4/h12-13,16-17H,5-9,14-15H2,1-4H3