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1,3-dimethyl-4-[4-(2-methylpropylsulfanyl)phenoxy]azepane

1,3-dimethyl-4-[4-(2-methylpropylsulfanyl)phenoxy]azepane

Systemtic Name:1,3-dimethyl-4-[4-(2-methylpropylsulfanyl)phenoxy]azepane
Openeye Name:4-(4-isobutylsulfanylphenoxy)-1,3-dimethyl-azepane
CAS Name:1,3-dimethyl-4-[4-(2-methylpropylthio)phenoxy]azepane
IUPAC Name:1,3-dimethyl-4-[4-(2-methylpropylsulfanyl)phenoxy]azepane
Traditional Name:4-[4-(isobutylthio)phenoxy]-1,3-dimethyl-azepane
Formula: C18H29NOS
MolecularWeight: 307.49396
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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCCC1OC2=CC=C(C=C2)SCC(C)C)C


Isomeric SMILES

CC1CN(CCCC1OC2=CC=C(C=C2)SCC(C)C)C


InChI

InChI=1S/C18H29NOS/c1-14(2)13-21-17-9-7-16(8-10-17)20-18-6-5-11-19(4)12-15(18)3/h7-10,14-15,18H,5-6,11-13H2,1-4H3


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