N-[1-(4-methylsulfanylphenyl)ethyl]octan-2-amine

Systemtic Name: N-[1-(4-methylsulfanylphenyl)ethyl]octan-2-amine Openeye Name: N-[1-(4-methylsulfanylphenyl)ethyl]octan-2-amine CAS Name: N-[1-[4-(methylthio)phenyl]ethyl]-2-octanamine IUPAC Name: N-[1-(4-methylsulfanylphenyl)ethyl]octan-2-amine Traditional Name: 1-methylheptyl-[1-[4-(methylthio)phenyl]ethyl]amine Formula: C17H29NS MolecularWeight: 279.48386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(C)C1=CC=C(C=C1)SC

Isomeric SMILES

CCCCCCC(C)NC(C)C1=CC=C(C=C1)SC

InChI

InChI=1S/C17H29NS/c1-5-6-7-8-9-14(2)18-15(3)16-10-12-17(19-4)13-11-16/h10-15,18H,5-9H2,1-4H3