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

Systemtic Name: 2-(5-methyl-1-phenyl-pyrazol-4-yl)carbonyl-N-(2-methylpropyl)pyrazolidine-1-carbothioamide Openeye Name: N-isobutyl-2-(5-methyl-1-phenyl-pyrazole-4-carbonyl)pyrazolidine-1-carbothioamide CAS Name: 2-[(5-methyl-1-phenyl-4-pyrazolyl)-oxomethyl]-N-(2-methylpropyl)-1-pyrazolidinecarbothioamide IUPAC Name: 2-(5-methyl-1-phenylpyrazole-4-carbonyl)-N-(2-methylpropyl)pyrazolidine-1-carbothioamide Traditional Name: N-isobutyl-2-(5-methyl-1-phenyl-pyrazole-4-carbonyl)pyrazolidine-1-carbothioamide Formula: C19H25N5OS MolecularWeight: 371.4997

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5OS/c1-14(2)12-20-19(26)23-11-7-10-22(23)18(25)17-13-21-24(15(17)3)16-8-5-4-6-9-16/h4-6,8-9,13-14H,7,10-12H2,1-3H3,(H,20,26)