2-(2-butyl-3-naphthalen-2-ylsulfanyl-phenyl)ethanamine

Systemtic Name: 2-(2-butyl-3-naphthalen-2-ylsulfanyl-phenyl)ethanamine Openeye Name: 2-[2-butyl-3-(2-naphthylsulfanyl)phenyl]ethanamine CAS Name: 2-[2-butyl-3-(2-naphthalenylthio)phenyl]ethanamine IUPAC Name: 2-(2-butyl-3-naphthalen-2-ylsulfanylphenyl)ethanamine Traditional Name: 2-[2-butyl-3-(2-naphthylthio)phenyl]ethylamine Formula: C22H25NS MolecularWeight: 335.5056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC=C1SC2=CC3=CC=CC=C3C=C2)CCN

Isomeric SMILES

CCCCC1=C(C=CC=C1SC2=CC3=CC=CC=C3C=C2)CCN

InChI

InChI=1S/C22H25NS/c1-2-3-10-21-18(14-15-23)9-6-11-22(21)24-20-13-12-17-7-4-5-8-19(17)16-20/h4-9,11-13,16H,2-3,10,14-15,23H2,1H3