2-[3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]-N-methyl-pyrazolidine-1-carbothioamide

Systemtic Name: 2-[3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]-N-methyl-pyrazolidine-1-carbothioamide Openeye Name: 2-[3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]-N-methyl-pyrazolidine-1-carbothioamide CAS Name: 2-[3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-1-oxoprop-2-enyl]-N-methyl-1-pyrazolidinecarbothioamide IUPAC Name: 2-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-methylpyrazolidine-1-carbothioamide Traditional Name: 2-[3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acryloyl]-N-methyl-pyrazolidine-1-carbothioamide Formula: C13H18ClN5OS MolecularWeight: 327.83292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)N2CCCN2C(=S)NC)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C=CC(=O)N2CCCN2C(=S)NC)Cl)C

InChI

InChI=1S/C13H18ClN5OS/c1-9-10(12(14)17(3)16-9)5-6-11(20)18-7-4-8-19(18)13(21)15-2/h5-6H,4,7-8H2,1-3H3,(H,15,21)