3-methyl-4-[4-(2-methylpropylsulfanyl)phenoxy]azepane

Systemtic Name: 3-methyl-4-[4-(2-methylpropylsulfanyl)phenoxy]azepane Openeye Name: 4-(4-isobutylsulfanylphenoxy)-3-methyl-azepane CAS Name: 3-methyl-4-[4-(2-methylpropylthio)phenoxy]azepane IUPAC Name: 3-methyl-4-[4-(2-methylpropylsulfanyl)phenoxy]azepane Traditional Name: 4-[4-(isobutylthio)phenoxy]-3-methyl-azepane Formula: C17H27NOS MolecularWeight: 293.46738

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCCCC1OC2=CC=C(C=C2)SCC(C)C

Isomeric SMILES

CC1CNCCCC1OC2=CC=C(C=C2)SCC(C)C

InChI

InChI=1S/C17H27NOS/c1-13(2)12-20-16-8-6-15(7-9-16)19-17-5-4-10-18-11-14(17)3/h6-9,13-14,17-18H,4-5,10-12H2,1-3H3