ethyl 5-[6-[2-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridazin-3-yl]pentanoate

Systemtic Name: ethyl 5-[6-[2-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridazin-3-yl]pentanoate Openeye Name: ethyl 5-[6-[2-(4,4-diethylthiochroman-6-yl)ethynyl]pyridazin-3-yl]pentanoate CAS Name: 5-[6-[2-(4,4-diethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-3-pyridazinyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[6-[2-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridazin-3-yl]pentanoate Traditional Name: 5-[6-[2-(4,4-diethylthiochroman-6-yl)ethynyl]pyridazin-3-yl]valeric acid ethyl ester Formula: C26H32N2O2S MolecularWeight: 436.60948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCSC2=C1C=C(C=C2)C#CC3=NN=C(C=C3)CCCCC(=O)OCC)CC

Isomeric SMILES

CCC1(CCSC2=C1C=C(C=C2)C#CC3=NN=C(C=C3)CCCCC(=O)OCC)CC

InChI

InChI=1S/C26H32N2O2S/c1-4-26(5-2)17-18-31-24-16-12-20(19-23(24)26)11-13-22-15-14-21(27-28-22)9-7-8-10-25(29)30-6-3/h12,14-16,19H,4-10,17-18H2,1-3H3