4-(4-ethylsulfanylphenoxy)-1,3-dimethyl-azepane

Systemtic Name: 4-(4-ethylsulfanylphenoxy)-1,3-dimethyl-azepane Openeye Name: 4-(4-ethylsulfanylphenoxy)-1,3-dimethyl-azepane CAS Name: 4-[4-(ethylthio)phenoxy]-1,3-dimethylazepane IUPAC Name: 4-(4-ethylsulfanylphenoxy)-1,3-dimethylazepane Traditional Name: 4-[4-(ethylthio)phenoxy]-1,3-dimethyl-azepane Formula: C16H25NOS MolecularWeight: 279.4408

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)OC2CCCN(CC2C)C

Isomeric SMILES

CCSC1=CC=C(C=C1)OC2CCCN(CC2C)C

InChI

InChI=1S/C16H25NOS/c1-4-19-15-9-7-14(8-10-15)18-16-6-5-11-17(3)12-13(16)2/h7-10,13,16H,4-6,11-12H2,1-3H3