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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1C(C(C(CS1)OC2=CC=CC=C2CN3CCN(CC3)C4=CC=CC=N4)O)OC

Isomeric SMILES

CC#CC1C(C(C(CS1)OC2=CC=CC=C2CN3CCN(CC3)C4=CC=CC=N4)O)OC

InChI

InChI=1S/C25H31N3O3S/c1-3-8-22-25(30-2)24(29)21(18-32-22)31-20-10-5-4-9-19(20)17-27-13-15-28(16-14-27)23-11-6-7-12-26-23/h4-7,9-12,21-22,24-25,29H,13-18H2,1-2H3