1-[4-[2-(4-methoxyphenyl)-5-(thian-2-yloxy)pentan-2-yl]phenyl]ethanone

Systemtic Name: 1-[4-[2-(4-methoxyphenyl)-5-(thian-2-yloxy)pentan-2-yl]phenyl]ethanone Openeye Name: 1-[4-[1-(4-methoxyphenyl)-1-methyl-4-tetrahydrothiopyran-2-yloxy-butyl]phenyl]ethanone CAS Name: 1-[4-[2-(4-methoxyphenyl)-5-(2-thianyloxy)pentan-2-yl]phenyl]ethanone IUPAC Name: 1-[4-[2-(4-methoxyphenyl)-5-(thian-2-yloxy)pentan-2-yl]phenyl]ethanone Traditional Name: 1-[4-[1-(4-methoxyphenyl)-1-methyl-4-tetrahydrothiopyran-2-yloxy-butyl]phenyl]ethanone Formula: C25H32O3S MolecularWeight: 412.58478

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C(C)(CCCOC2CCCCS2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C(C)(CCCOC2CCCCS2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H32O3S/c1-19(26)20-8-10-21(11-9-20)25(2,22-12-14-23(27-3)15-13-22)16-6-17-28-24-7-4-5-18-29-24/h8-15,24H,4-7,16-18H2,1-3H3