2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]ethanamine

Systemtic Name: 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]ethanamine Openeye Name: 2-[[2-(4-chlorophenyl)oxazol-4-yl]methylsulfanyl]ethanamine CAS Name: 2-[[2-(4-chlorophenyl)-4-oxazolyl]methylthio]ethanamine IUPAC Name: 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]ethanamine Traditional Name: 2-[[2-(4-chlorophenyl)oxazol-4-yl]methylthio]ethylamine Formula: C12H13ClN2OS MolecularWeight: 268.76242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=CO2)CSCCN)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=CO2)CSCCN)Cl

InChI

InChI=1S/C12H13ClN2OS/c13-10-3-1-9(2-4-10)12-15-11(7-16-12)8-17-6-5-14/h1-4,7H,5-6,8,14H2