1-[2-[(4-chlorophenyl)methylsulfanyl]ethanoyl]pyrazolidin-3-one

Systemtic Name: 1-[2-[(4-chlorophenyl)methylsulfanyl]ethanoyl]pyrazolidin-3-one Openeye Name: 1-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]pyrazolidin-3-one CAS Name: 1-[2-[(4-chlorophenyl)methylthio]-1-oxoethyl]-3-pyrazolidinone IUPAC Name: 1-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]pyrazolidin-3-one Traditional Name: 1-[2-[(4-chlorobenzyl)thio]acetyl]pyrazolidin-3-one Formula: C12H13ClN2O2S MolecularWeight: 284.76182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(NC1=O)C(=O)CSCC2=CC=C(C=C2)Cl

Isomeric SMILES

C1CN(NC1=O)C(=O)CSCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H13ClN2O2S/c13-10-3-1-9(2-4-10)7-18-8-12(17)15-6-5-11(16)14-15/h1-4H,5-8H2,(H,14,16)