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

Systemtic Name: 2-[3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]-N-(furan-2-ylmethyl)pyrazolidine-1-carbothioamide Openeye Name: 2-[3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]-N-(2-furylmethyl)pyrazolidine-1-carbothioamide CAS Name: 2-[3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-1-oxoprop-2-enyl]-N-(2-furanylmethyl)-1-pyrazolidinecarbothioamide IUPAC Name: 2-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-(furan-2-ylmethyl)pyrazolidine-1-carbothioamide Traditional Name: 2-[3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acryloyl]-N-(2-furfuryl)pyrazolidine-1-carbothioamide Formula: C17H20ClN5O2S MolecularWeight: 393.891

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)N2CCCN2C(=S)NCC3=CC=CO3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C=CC(=O)N2CCCN2C(=S)NCC3=CC=CO3)Cl)C

InChI

InChI=1S/C17H20ClN5O2S/c1-12-14(16(18)21(2)20-12)6-7-15(24)22-8-4-9-23(22)17(26)19-11-13-5-3-10-25-13/h3,5-7,10H,4,8-9,11H2,1-2H3,(H,19,26)