2-[6-[2-(4,4-diethyl-7-methyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridazin-3-yl]ethanoic acid

Systemtic Name: 2-[6-[2-(4,4-diethyl-7-methyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridazin-3-yl]ethanoic acid Openeye Name: 2-[6-[2-(4,4-diethyl-7-methyl-thiochroman-6-yl)ethynyl]pyridazin-3-yl]acetic acid CAS Name: 2-[6-[2-(4,4-diethyl-7-methyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-3-pyridazinyl]acetic acid IUPAC Name: 2-[6-[2-(4,4-diethyl-7-methyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridazin-3-yl]acetic acid Traditional Name: 2-[6-[2-(4,4-diethyl-7-methyl-thiochroman-6-yl)ethynyl]pyridazin-3-yl]acetic acid Formula: C22H24N2O2S MolecularWeight: 380.50316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O2S/c1-4-22(5-2)10-11-27-20-12-15(3)16(13-19(20)22)6-7-17-8-9-18(24-23-17)14-21(25)26/h8-9,12-13H,4-5,10-11,14H2,1-3H3,(H,25,26)