3-(butylsulfanylmethyl)-2-methyl-aniline

Systemtic Name: 3-(butylsulfanylmethyl)-2-methyl-aniline Openeye Name: 3-(butylsulfanylmethyl)-2-methyl-aniline CAS Name: 3-[(butylthio)methyl]-2-methylaniline IUPAC Name: 3-(butylsulfanylmethyl)-2-methylaniline Traditional Name: [3-[(butylthio)methyl]-2-methyl-phenyl]amine Formula: C12H19NS MolecularWeight: 209.35096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC1=C(C(=CC=C1)N)C

Isomeric SMILES

CCCCSCC1=C(C(=CC=C1)N)C

InChI

InChI=1S/C12H19NS/c1-3-4-8-14-9-11-6-5-7-12(13)10(11)2/h5-7H,3-4,8-9,13H2,1-2H3