3-methyl-4-(2-methylsulfanylphenoxy)azepane

Systemtic Name: 3-methyl-4-(2-methylsulfanylphenoxy)azepane Openeye Name: 3-methyl-4-(2-methylsulfanylphenoxy)azepane CAS Name: 3-methyl-4-[2-(methylthio)phenoxy]azepane IUPAC Name: 3-methyl-4-(2-methylsulfanylphenoxy)azepane Traditional Name: 3-methyl-4-[2-(methylthio)phenoxy]azepane Formula: C14H21NOS MolecularWeight: 251.38764

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCCCC1OC2=CC=CC=C2SC

Isomeric SMILES

CC1CNCCCC1OC2=CC=CC=C2SC

InChI

InChI=1S/C14H21NOS/c1-11-10-15-9-5-7-12(11)16-13-6-3-4-8-14(13)17-2/h3-4,6,8,11-12,15H,5,7,9-10H2,1-2H3