2-ethylsulfanyl-5-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,3-benzoxazole

Systemtic Name: 2-ethylsulfanyl-5-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,3-benzoxazole Openeye Name: 2-ethylsulfanyl-5-[2-[1-(6-methylpyridazin-3-yl)-4-piperidyl]ethoxy]-1,3-benzoxazole CAS Name: 2-(ethylthio)-5-[2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]ethoxy]-1,3-benzoxazole IUPAC Name: 2-ethylsulfanyl-5-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,3-benzoxazole Traditional Name: 2-(ethylthio)-5-[2-[1-(6-methylpyridazin-3-yl)-4-piperidyl]ethoxy]-1,3-benzoxazole Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2S/c1-3-28-21-22-18-14-17(5-6-19(18)27-21)26-13-10-16-8-11-25(12-9-16)20-7-4-15(2)23-24-20/h4-7,14,16H,3,8-13H2,1-2H3