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

Systemtic Name: 2-[3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]-N-(3-cyanophenyl)pyrazolidine-1-carbothioamide Openeye Name: 2-[3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]-N-(3-cyanophenyl)pyrazolidine-1-carbothioamide CAS Name: 2-[3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-1-oxoprop-2-enyl]-N-(3-cyanophenyl)-1-pyrazolidinecarbothioamide IUPAC Name: 2-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-(3-cyanophenyl)pyrazolidine-1-carbothioamide Traditional Name: 2-[3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acryloyl]-N-(3-cyanophenyl)pyrazolidine-1-carbothioamide Formula: C19H19ClN6OS MolecularWeight: 414.91176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)N2CCCN2C(=S)NC3=CC=CC(=C3)C#N)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C=CC(=O)N2CCCN2C(=S)NC3=CC=CC(=C3)C#N)Cl)C

InChI

InChI=1S/C19H19ClN6OS/c1-13-16(18(20)24(2)23-13)7-8-17(27)25-9-4-10-26(25)19(28)22-15-6-3-5-14(11-15)12-21/h3,5-8,11H,4,9-10H2,1-2H3,(H,22,28)