2-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-N-(3-cyanophenyl)pyrazolidine-1-carbothioamide

Systemtic Name: 2-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-N-(3-cyanophenyl)pyrazolidine-1-carbothioamide Openeye Name: 2-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-N-(3-cyanophenyl)pyrazolidine-1-carbothioamide CAS Name: 2-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-N-(3-cyanophenyl)-1-pyrazolidinecarbothioamide IUPAC Name: 2-(5-tert-butyl-2-methylpyrazole-3-carbonyl)-N-(3-cyanophenyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-N-(3-cyanophenyl)pyrazolidine-1-carbothioamide Formula: C20H24N6OS MolecularWeight: 396.50916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN2C(=S)NC3=CC=CC(=C3)C#N)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN2C(=S)NC3=CC=CC(=C3)C#N)C

InChI

InChI=1S/C20H24N6OS/c1-20(2,3)17-12-16(24(4)23-17)18(27)25-9-6-10-26(25)19(28)22-15-8-5-7-14(11-15)13-21/h5,7-8,11-12H,6,9-10H2,1-4H3,(H,22,28)