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

Systemtic Name: N-(furan-2-ylmethyl)-2-(5-methyl-1-phenyl-pyrazol-4-yl)carbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-(2-furylmethyl)-2-(5-methyl-1-phenyl-pyrazole-4-carbonyl)pyrazolidine-1-carbothioamide CAS Name: N-(2-furanylmethyl)-2-[(5-methyl-1-phenyl-4-pyrazolyl)-oxomethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-(furan-2-ylmethyl)-2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidine-1-carbothioamide Traditional Name: N-(2-furfuryl)-2-(5-methyl-1-phenyl-pyrazole-4-carbonyl)pyrazolidine-1-carbothioamide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN3C(=S)NCC4=CC=CO4

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN3C(=S)NCC4=CC=CO4

InChI

InChI=1S/C20H21N5O2S/c1-15-18(14-22-25(15)16-7-3-2-4-8-16)19(26)23-10-6-11-24(23)20(28)21-13-17-9-5-12-27-17/h2-5,7-9,12,14H,6,10-11,13H2,1H3,(H,21,28)