5-methyl-3-oxidanylidene-N,2-diphenyl-pyrazolidine-1-carbothioamide

Systemtic Name: 5-methyl-3-oxidanylidene-N,2-diphenyl-pyrazolidine-1-carbothioamide Openeye Name: 5-methyl-3-oxo-N,2-diphenyl-pyrazolidine-1-carbothioamide CAS Name: 5-methyl-3-oxo-N,2-diphenyl-1-pyrazolidinecarbothioamide IUPAC Name: 5-methyl-3-oxo-N,2-diphenylpyrazolidine-1-carbothioamide Traditional Name: 3-keto-5-methyl-N,2-diphenyl-pyrazolidine-1-carbothioamide Formula: C17H17N3OS MolecularWeight: 311.40138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)N(N1C(=S)NC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1CC(=O)N(N1C(=S)NC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H17N3OS/c1-13-12-16(21)20(15-10-6-3-7-11-15)19(13)17(22)18-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,18,22)