(3S)-3-[2,5-bis(chloranyl)phenyl]sulfanylazepan-2-one

Systemtic Name: (3S)-3-[2,5-bis(chloranyl)phenyl]sulfanylazepan-2-one Openeye Name: (3S)-3-(2,5-dichlorophenyl)sulfanylazepan-2-one CAS Name: (3S)-3-[(2,5-dichlorophenyl)thio]-2-azepanone IUPAC Name: (3S)-3-(2,5-dichlorophenyl)sulfanylazepan-2-one Traditional Name: (3S)-3-[(2,5-dichlorophenyl)thio]azepan-2-one Formula: C12H13Cl2NOS MolecularWeight: 290.20872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=C(C=CC(=C2)Cl)Cl

Isomeric SMILES

C1CCNC(=O)[C@H](C1)SC2=C(C=CC(=C2)Cl)Cl

InChI

InChI=1S/C12H13Cl2NOS/c13-8-4-5-9(14)11(7-8)17-10-3-1-2-6-15-12(10)16/h4-5,7,10H,1-3,6H2,(H,15,16)/t10-/m0/s1