2-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-N-[(2,3-dimethoxyphenyl)methyl]pyrazolidine-1-carbothioamide

Systemtic Name: 2-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-N-[(2,3-dimethoxyphenyl)methyl]pyrazolidine-1-carbothioamide Openeye Name: 2-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-N-[(2,3-dimethoxyphenyl)methyl]pyrazolidine-1-carbothioamide CAS Name: 2-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-N-[(2,3-dimethoxyphenyl)methyl]-1-pyrazolidinecarbothioamide IUPAC Name: 2-(5-tert-butyl-2-methylpyrazole-3-carbonyl)-N-[(2,3-dimethoxyphenyl)methyl]pyrazolidine-1-carbothioamide Traditional Name: 2-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-N-o-veratryl-pyrazolidine-1-carbothioamide Formula: C22H31N5O3S MolecularWeight: 445.57824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN2C(=S)NCC3=C(C(=CC=C3)OC)OC)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN2C(=S)NCC3=C(C(=CC=C3)OC)OC)C

InChI

InChI=1S/C22H31N5O3S/c1-22(2,3)18-13-16(25(4)24-18)20(28)26-11-8-12-27(26)21(31)23-14-15-9-7-10-17(29-5)19(15)30-6/h7,9-10,13H,8,11-12,14H2,1-6H3,(H,23,31)