4-[3-[2-methoxy-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]prop-1-ynyl]thian-4-ol

Systemtic Name: 4-[3-[2-methoxy-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]prop-1-ynyl]thian-4-ol Openeye Name: 4-[3-[2-methoxy-5-[[4-(2-pyridyl)piperazin-1-yl]methyl]phenoxy]prop-1-ynyl]tetrahydrothiopyran-4-ol CAS Name: 4-[3-[2-methoxy-5-[[4-(2-pyridinyl)-1-piperazinyl]methyl]phenoxy]prop-1-ynyl]-4-thianol IUPAC Name: 4-[3-[2-methoxy-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]prop-1-ynyl]thian-4-ol Traditional Name: 4-[3-[2-methoxy-5-[[4-(2-pyridyl)piperazino]methyl]phenoxy]prop-1-ynyl]tetrahydrothiopyran-4-ol Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=CC=CC=N3)OCC#CC4(CCSCC4)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=CC=CC=N3)OCC#CC4(CCSCC4)O

InChI

InChI=1S/C25H31N3O3S/c1-30-22-7-6-21(19-23(22)31-16-4-8-25(29)9-17-32-18-10-25)20-27-12-14-28(15-13-27)24-5-2-3-11-26-24/h2-3,5-7,11,19,29H,9-10,12-18,20H2,1H3