2-(5-methyl-1-phenyl-pyrazol-4-yl)carbonyl-N-(pyridin-3-ylmethyl)pyrazolidine-1-carbothioamide

Systemtic Name: 2-(5-methyl-1-phenyl-pyrazol-4-yl)carbonyl-N-(pyridin-3-ylmethyl)pyrazolidine-1-carbothioamide Openeye Name: 2-(5-methyl-1-phenyl-pyrazole-4-carbonyl)-N-(3-pyridylmethyl)pyrazolidine-1-carbothioamide CAS Name: 2-[(5-methyl-1-phenyl-4-pyrazolyl)-oxomethyl]-N-(3-pyridinylmethyl)-1-pyrazolidinecarbothioamide IUPAC Name: 2-(5-methyl-1-phenylpyrazole-4-carbonyl)-N-(pyridin-3-ylmethyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(5-methyl-1-phenyl-pyrazole-4-carbonyl)-N-(3-pyridylmethyl)pyrazolidine-1-carbothioamide Formula: C21H22N6OS MolecularWeight: 406.50398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN3C(=S)NCC4=CN=CC=C4

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN3C(=S)NCC4=CN=CC=C4

InChI

InChI=1S/C21H22N6OS/c1-16-19(15-24-27(16)18-8-3-2-4-9-18)20(28)25-11-6-12-26(25)21(29)23-14-17-7-5-10-22-13-17/h2-5,7-10,13,15H,6,11-12,14H2,1H3,(H,23,29)