2-(5-methyl-1-phenyl-pyrazol-4-yl)carbonyl-N-prop-2-enyl-pyrazolidine-1-carbothioamide

Systemtic Name: 2-(5-methyl-1-phenyl-pyrazol-4-yl)carbonyl-N-prop-2-enyl-pyrazolidine-1-carbothioamide Openeye Name: N-allyl-2-(5-methyl-1-phenyl-pyrazole-4-carbonyl)pyrazolidine-1-carbothioamide CAS Name: 2-[(5-methyl-1-phenyl-4-pyrazolyl)-oxomethyl]-N-prop-2-enyl-1-pyrazolidinecarbothioamide IUPAC Name: 2-(5-methyl-1-phenylpyrazole-4-carbonyl)-N-prop-2-enylpyrazolidine-1-carbothioamide Traditional Name: N-allyl-2-(5-methyl-1-phenyl-pyrazole-4-carbonyl)pyrazolidine-1-carbothioamide Formula: C18H21N5OS MolecularWeight: 355.45724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN3C(=S)NCC=C

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN3C(=S)NCC=C

InChI

InChI=1S/C18H21N5OS/c1-3-10-19-18(25)22-12-7-11-21(22)17(24)16-13-20-23(14(16)2)15-8-5-4-6-9-15/h3-6,8-9,13H,1,7,10-12H2,2H3,(H,19,25)