N-[(4-butoxyphenyl)methyl]-3-methylsulfanyl-aniline

Systemtic Name: N-[(4-butoxyphenyl)methyl]-3-methylsulfanyl-aniline Openeye Name: N-[(4-butoxyphenyl)methyl]-3-methylsulfanyl-aniline CAS Name: N-[(4-butoxyphenyl)methyl]-3-(methylthio)aniline IUPAC Name: N-[(4-butoxyphenyl)methyl]-3-methylsulfanylaniline Traditional Name: (4-butoxybenzyl)-[3-(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=C2)SC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CNC2=CC(=CC=C2)SC

InChI

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