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

Systemtic Name: 2-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-N-prop-2-enyl-pyrazolidine-1-carbothioamide Openeye Name: N-allyl-2-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)pyrazolidine-1-carbothioamide CAS Name: 2-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-N-prop-2-enyl-1-pyrazolidinecarbothioamide IUPAC Name: 2-(5-tert-butyl-2-methylpyrazole-3-carbonyl)-N-prop-2-enylpyrazolidine-1-carbothioamide Traditional Name: N-allyl-2-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)pyrazolidine-1-carbothioamide Formula: C16H25N5OS MolecularWeight: 335.4676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN2C(=S)NCC=C)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN2C(=S)NCC=C)C

InChI

InChI=1S/C16H25N5OS/c1-6-8-17-15(23)21-10-7-9-20(21)14(22)12-11-13(16(2,3)4)18-19(12)5/h6,11H,1,7-10H2,2-5H3,(H,17,23)