N-[1-(phenylmethylsulfanyl)octan-2-yl]aniline

Systemtic Name: N-[1-(phenylmethylsulfanyl)octan-2-yl]aniline Openeye Name: N-[1-(benzylsulfanylmethyl)heptyl]aniline CAS Name: N-[1-(phenylmethylthio)octan-2-yl]aniline IUPAC Name: N-(1-benzylsulfanyloctan-2-yl)aniline Traditional Name: 1-[(benzylthio)methyl]heptyl-phenyl-amine Formula: C21H29NS MolecularWeight: 327.52666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CSCC1=CC=CC=C1)NC2=CC=CC=C2

Isomeric SMILES

CCCCCCC(CSCC1=CC=CC=C1)NC2=CC=CC=C2

InChI

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