N-[(4-butoxyphenyl)methyl]-2-methylsulfanyl-aniline

Systemtic Name: N-[(4-butoxyphenyl)methyl]-2-methylsulfanyl-aniline Openeye Name: N-[(4-butoxyphenyl)methyl]-2-methylsulfanyl-aniline CAS Name: N-[(4-butoxyphenyl)methyl]-2-(methylthio)aniline IUPAC Name: N-[(4-butoxyphenyl)methyl]-2-methylsulfanylaniline Traditional Name: (4-butoxybenzyl)-[2-(methylthio)phenyl]amine Formula: C18H23NOS MolecularWeight: 301.44632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CNC2=CC=CC=C2SC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CNC2=CC=CC=C2SC

InChI

InChI=1S/C18H23NOS/c1-3-4-13-20-16-11-9-15(10-12-16)14-19-17-7-5-6-8-18(17)21-2/h5-12,19H,3-4,13-14H2,1-2H3