N-(4-chloranyl-2-methyl-phenyl)-4-methyl-3-oxidanylidene-2-phenyl-pyrazolidine-1-carbothioamide

Systemtic Name: N-(4-chloranyl-2-methyl-phenyl)-4-methyl-3-oxidanylidene-2-phenyl-pyrazolidine-1-carbothioamide Openeye Name: N-(4-chloro-2-methyl-phenyl)-4-methyl-3-oxo-2-phenyl-pyrazolidine-1-carbothioamide CAS Name: N-(4-chloro-2-methylphenyl)-4-methyl-3-oxo-2-phenyl-1-pyrazolidinecarbothioamide IUPAC Name: N-(4-chloro-2-methylphenyl)-4-methyl-3-oxo-2-phenylpyrazolidine-1-carbothioamide Traditional Name: N-(4-chloro-2-methyl-phenyl)-3-keto-4-methyl-2-phenyl-pyrazolidine-1-carbothioamide Formula: C18H18ClN3OS MolecularWeight: 359.87302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(N(C1=O)C2=CC=CC=C2)C(=S)NC3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CC1CN(N(C1=O)C2=CC=CC=C2)C(=S)NC3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C18H18ClN3OS/c1-12-10-14(19)8-9-16(12)20-18(24)21-11-13(2)17(23)22(21)15-6-4-3-5-7-15/h3-10,13H,11H2,1-2H3,(H,20,24)