2-(4-aminophenyl)sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-(4-aminophenyl)sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-(4-aminophenyl)sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[(4-aminophenyl)thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-(4-aminophenyl)sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(4-aminophenyl)thio]-1-pyrrolidino-ethanone Formula: C12H16N2OS MolecularWeight: 236.33324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=CC=C(C=C2)N

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=CC=C(C=C2)N

InChI

InChI=1S/C12H16N2OS/c13-10-3-5-11(6-4-10)16-9-12(15)14-7-1-2-8-14/h3-6H,1-2,7-9,13H2