6-[2-[1-(6-chloranylpyridazin-3-yl)piperidin-4-yl]ethoxy]-2-ethylsulfanyl-1,3-benzoxazole

Systemtic Name: 6-[2-[1-(6-chloranylpyridazin-3-yl)piperidin-4-yl]ethoxy]-2-ethylsulfanyl-1,3-benzoxazole Openeye Name: 6-[2-[1-(6-chloropyridazin-3-yl)-4-piperidyl]ethoxy]-2-ethylsulfanyl-1,3-benzoxazole CAS Name: 6-[2-[1-(6-chloro-3-pyridazinyl)-4-piperidinyl]ethoxy]-2-(ethylthio)-1,3-benzoxazole IUPAC Name: 6-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]-2-ethylsulfanyl-1,3-benzoxazole Traditional Name: 6-[2-[1-(6-chloropyridazin-3-yl)-4-piperidyl]ethoxy]-2-(ethylthio)-1,3-benzoxazole Formula: C20H23ClN4O2S MolecularWeight: 418.94022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(O1)C=C(C=C2)OCCC3CCN(CC3)C4=NN=C(C=C4)Cl

Isomeric SMILES

CCSC1=NC2=C(O1)C=C(C=C2)OCCC3CCN(CC3)C4=NN=C(C=C4)Cl

InChI

InChI=1S/C20H23ClN4O2S/c1-2-28-20-22-16-4-3-15(13-17(16)27-20)26-12-9-14-7-10-25(11-8-14)19-6-5-18(21)23-24-19/h3-6,13-14H,2,7-12H2,1H3