3-butyl-1-[2-[(4-fluorophenyl)methyl]-4-methyl-phenyl]sulfanyl-heptan-2-ol

Systemtic Name: 3-butyl-1-[2-[(4-fluorophenyl)methyl]-4-methyl-phenyl]sulfanyl-heptan-2-ol Openeye Name: 3-butyl-1-[2-[(4-fluorophenyl)methyl]-4-methyl-phenyl]sulfanyl-heptan-2-ol CAS Name: 3-butyl-1-[[2-[(4-fluorophenyl)methyl]-4-methylphenyl]thio]-2-heptanol IUPAC Name: 3-butyl-1-[2-[(4-fluorophenyl)methyl]-4-methylphenyl]sulfanylheptan-2-ol Traditional Name: 3-butyl-1-[[2-(4-fluorobenzyl)-4-methyl-phenyl]thio]heptan-2-ol Formula: C25H35FOS MolecularWeight: 402.608203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)C(CSC1=C(C=C(C=C1)C)CC2=CC=C(C=C2)F)O

Isomeric SMILES

CCCCC(CCCC)C(CSC1=C(C=C(C=C1)C)CC2=CC=C(C=C2)F)O

InChI

InChI=1S/C25H35FOS/c1-4-6-8-21(9-7-5-2)24(27)18-28-25-15-10-19(3)16-22(25)17-20-11-13-23(26)14-12-20/h10-16,21,24,27H,4-9,17-18H2,1-3H3