2-(methylsulfanylmethyl)-6-octylsulfanyl-3-(trifluoromethyl)aniline

Systemtic Name: 2-(methylsulfanylmethyl)-6-octylsulfanyl-3-(trifluoromethyl)aniline Openeye Name: 2-(methylsulfanylmethyl)-6-octylsulfanyl-3-(trifluoromethyl)aniline CAS Name: 2-[(methylthio)methyl]-6-(octylthio)-3-(trifluoromethyl)aniline IUPAC Name: 2-(methylsulfanylmethyl)-6-octylsulfanyl-3-(trifluoromethyl)aniline Traditional Name: [2-[(methylthio)methyl]-6-(octylthio)-3-(trifluoromethyl)phenyl]amine Formula: C17H26F3NS2 MolecularWeight: 365.52025

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=C(C(=C(C=C1)C(F)(F)F)CSC)N

Isomeric SMILES

CCCCCCCCSC1=C(C(=C(C=C1)C(F)(F)F)CSC)N

InChI

InChI=1S/C17H26F3NS2/c1-3-4-5-6-7-8-11-23-15-10-9-14(17(18,19)20)13(12-22-2)16(15)21/h9-10H,3-8,11-12,21H2,1-2H3