3-methyl-4-[3-(trifluoromethylsulfanyl)phenoxy]azepane

Systemtic Name: 3-methyl-4-[3-(trifluoromethylsulfanyl)phenoxy]azepane Openeye Name: 3-methyl-4-[3-(trifluoromethylsulfanyl)phenoxy]azepane CAS Name: 3-methyl-4-[3-(trifluoromethylthio)phenoxy]azepane IUPAC Name: 3-methyl-4-[3-(trifluoromethylsulfanyl)phenoxy]azepane Traditional Name: 3-methyl-4-[3-(trifluoromethylthio)phenoxy]azepane Formula: C14H18F3NOS MolecularWeight: 305.35903

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCCCC1OC2=CC(=CC=C2)SC(F)(F)F

Isomeric SMILES

CC1CNCCCC1OC2=CC(=CC=C2)SC(F)(F)F

InChI

InChI=1S/C14H18F3NOS/c1-10-9-18-7-3-6-13(10)19-11-4-2-5-12(8-11)20-14(15,16)17/h2,4-5,8,10,13,18H,3,6-7,9H2,1H3