[6-[2-(7-ethyl-2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]pyridazin-3-yl] butanoate

Systemtic Name: [6-[2-(7-ethyl-2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]pyridazin-3-yl] butanoate Openeye Name: [6-[2-(7-ethyl-2,2,4,4-tetramethyl-thiochroman-6-yl)ethynyl]pyridazin-3-yl] butanoate CAS Name: butanoic acid [6-[2-(7-ethyl-2,2,4,4-tetramethyl-3H-1-benzothiopyran-6-yl)ethynyl]-3-pyridazinyl] ester IUPAC Name: [6-[2-(7-ethyl-2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]pyridazin-3-yl] butanoate Traditional Name: butyric acid [6-[2-(7-ethyl-2,2,4,4-tetramethyl-thiochroman-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)SC(CC3(C)C)(C)C

Isomeric SMILES

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

InChI

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