N-[2-(phenylmethylsulfanyl)octyl]aniline

Systemtic Name: N-[2-(phenylmethylsulfanyl)octyl]aniline Openeye Name: N-(2-benzylsulfanyloctyl)aniline CAS Name: N-[2-(phenylmethylthio)octyl]aniline IUPAC Name: N-(2-benzylsulfanyloctyl)aniline Traditional Name: 2-(benzylthio)octyl-phenyl-amine Formula: C21H29NS MolecularWeight: 327.52666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CNC1=CC=CC=C1)SCC2=CC=CC=C2

Isomeric SMILES

CCCCCCC(CNC1=CC=CC=C1)SCC2=CC=CC=C2

InChI

InChI=1S/C21H29NS/c1-2-3-4-11-16-21(17-22-20-14-9-6-10-15-20)23-18-19-12-7-5-8-13-19/h5-10,12-15,21-22H,2-4,11,16-18H2,1H3