3-(3-butan-2-ylsulfanylpropoxy)aniline

Systemtic Name: 3-(3-butan-2-ylsulfanylpropoxy)aniline Openeye Name: 3-(3-sec-butylsulfanylpropoxy)aniline CAS Name: 3-[3-(butan-2-ylthio)propoxy]aniline IUPAC Name: 3-(3-butan-2-ylsulfanylpropoxy)aniline Traditional Name: [3-[3-(sec-butylthio)propoxy]phenyl]amine Formula: C13H21NOS MolecularWeight: 239.37694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SCCCOC1=CC=CC(=C1)N

Isomeric SMILES

CCC(C)SCCCOC1=CC=CC(=C1)N

InChI

InChI=1S/C13H21NOS/c1-3-11(2)16-9-5-8-15-13-7-4-6-12(14)10-13/h4,6-7,10-11H,3,5,8-9,14H2,1-2H3