4-[3-[2-methoxy-5-[(1-phenylpropan-2-ylamino)methyl]phenoxy]prop-1-ynyl]thian-4-ol

Systemtic Name: 4-[3-[2-methoxy-5-[(1-phenylpropan-2-ylamino)methyl]phenoxy]prop-1-ynyl]thian-4-ol Openeye Name: 4-[3-[2-methoxy-5-[[(1-methyl-2-phenyl-ethyl)amino]methyl]phenoxy]prop-1-ynyl]tetrahydrothiopyran-4-ol CAS Name: 4-[3-[2-methoxy-5-[(1-phenylpropan-2-ylamino)methyl]phenoxy]prop-1-ynyl]-4-thianol IUPAC Name: 4-[3-[2-methoxy-5-[(1-phenylpropan-2-ylamino)methyl]phenoxy]prop-1-ynyl]thian-4-ol Traditional Name: 4-[3-[2-methoxy-5-[[(1-methyl-2-phenyl-ethyl)amino]methyl]phenoxy]prop-1-ynyl]tetrahydrothiopyran-4-ol Formula: C25H31NO3S MolecularWeight: 425.58354

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)NCC2=CC(=C(C=C2)OC)OCC#CC3(CCSCC3)O

Isomeric SMILES

CC(CC1=CC=CC=C1)NCC2=CC(=C(C=C2)OC)OCC#CC3(CCSCC3)O

InChI

InChI=1S/C25H31NO3S/c1-20(17-21-7-4-3-5-8-21)26-19-22-9-10-23(28-2)24(18-22)29-14-6-11-25(27)12-15-30-16-13-25/h3-5,7-10,18,20,26-27H,12-17,19H2,1-2H3