4-[3-(3-isoquinolin-1-ylprop-2-ynoxy)phenyl]-2-(1-methoxypropyl)-1,3-thiazole

Systemtic Name: 4-[3-(3-isoquinolin-1-ylprop-2-ynoxy)phenyl]-2-(1-methoxypropyl)-1,3-thiazole Openeye Name: 4-[3-[3-(1-isoquinolyl)prop-2-ynoxy]phenyl]-2-(1-methoxypropyl)thiazole CAS Name: 4-[3-[3-(1-isoquinolinyl)prop-2-ynoxy]phenyl]-2-(1-methoxypropyl)thiazole IUPAC Name: 4-[3-(3-isoquinolin-1-ylprop-2-ynoxy)phenyl]-2-(1-methoxypropyl)-1,3-thiazole Traditional Name: 4-[3-[3-(1-isoquinolyl)prop-2-ynoxy]phenyl]-2-(1-methoxypropyl)thiazole Formula: C25H22N2O2S MolecularWeight: 414.51938

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC(=CS1)C2=CC(=CC=C2)OCC#CC3=NC=CC4=CC=CC=C43)OC

Isomeric SMILES

CCC(C1=NC(=CS1)C2=CC(=CC=C2)OCC#CC3=NC=CC4=CC=CC=C43)OC

InChI

InChI=1S/C25H22N2O2S/c1-3-24(28-2)25-27-23(17-30-25)19-9-6-10-20(16-19)29-15-7-12-22-21-11-5-4-8-18(21)13-14-26-22/h4-6,8-11,13-14,16-17,24H,3,15H2,1-2H3