methyl N-[4-chloranyl-2-(phenylcarbonyl)phenyl]pyrazolidine-1-carboximidothioate

Systemtic Name: methyl N-[4-chloranyl-2-(phenylcarbonyl)phenyl]pyrazolidine-1-carboximidothioate Openeye Name: methyl N-(2-benzoyl-4-chloro-phenyl)pyrazolidine-1-carboximidothioate CAS Name: N-(2-benzoyl-4-chlorophenyl)-1-pyrazolidinecarboximidothioic acid methyl ester IUPAC Name: methyl N-(2-benzoyl-4-chlorophenyl)pyrazolidine-1-carboximidothioate Traditional Name: N-(2-benzoyl-4-chloro-phenyl)pyrazolidine-1-carboximidothioic acid methyl ester Formula: C18H18ClN3OS MolecularWeight: 359.87302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)N3CCCN3

Isomeric SMILES

CSC(=NC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)N3CCCN3

InChI

InChI=1S/C18H18ClN3OS/c1-24-18(22-11-5-10-20-22)21-16-9-8-14(19)12-15(16)17(23)13-6-3-2-4-7-13/h2-4,6-9,12,20H,5,10-11H2,1H3