3-(butylsulfanylmethyl)-4-chloranyl-aniline

Systemtic Name: 3-(butylsulfanylmethyl)-4-chloranyl-aniline Openeye Name: 3-(butylsulfanylmethyl)-4-chloro-aniline CAS Name: 3-[(butylthio)methyl]-4-chloroaniline IUPAC Name: 3-(butylsulfanylmethyl)-4-chloroaniline Traditional Name: [3-[(butylthio)methyl]-4-chloro-phenyl]amine Formula: C11H16ClNS MolecularWeight: 229.76944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16ClNS/c1-2-3-6-14-8-9-7-10(13)4-5-11(9)12/h4-5,7H,2-3,6,8,13H2,1H3