2-[2-[4-[(4-chlorophenyl)-pyridin-2-yl-methoxy]piperidin-1-yl]ethylsulfanyl]-6-methyl-1,3-benzoxazole

Systemtic Name: 2-[2-[4-[(4-chlorophenyl)-pyridin-2-yl-methoxy]piperidin-1-yl]ethylsulfanyl]-6-methyl-1,3-benzoxazole Openeye Name: 2-[2-[4-[(4-chlorophenyl)-(2-pyridyl)methoxy]-1-piperidyl]ethylsulfanyl]-6-methyl-1,3-benzoxazole CAS Name: 2-[2-[4-[(4-chlorophenyl)-(2-pyridinyl)methoxy]-1-piperidinyl]ethylthio]-6-methyl-1,3-benzoxazole IUPAC Name: 2-[2-[4-[(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]ethylsulfanyl]-6-methyl-1,3-benzoxazole Traditional Name: 2-[2-[4-[(4-chlorophenyl)-(2-pyridyl)methoxy]piperidino]ethylthio]-6-methyl-1,3-benzoxazole Formula: C27H28ClN3O2S MolecularWeight: 494.04812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)SCCN3CCC(CC3)OC(C4=CC=C(C=C4)Cl)C5=CC=CC=N5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)SCCN3CCC(CC3)OC(C4=CC=C(C=C4)Cl)C5=CC=CC=N5

InChI

InChI=1S/C27H28ClN3O2S/c1-19-5-10-23-25(18-19)33-27(30-23)34-17-16-31-14-11-22(12-15-31)32-26(24-4-2-3-13-29-24)20-6-8-21(28)9-7-20/h2-10,13,18,22,26H,11-12,14-17H2,1H3