3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-1-[2-(2-methylsulfanylethanoyl)pyrazolidin-1-yl]prop-2-en-1-one

Systemtic Name: 3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-1-[2-(2-methylsulfanylethanoyl)pyrazolidin-1-yl]prop-2-en-1-one Openeye Name: 3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-1-[2-(2-methylsulfanylacetyl)pyrazolidin-1-yl]prop-2-en-1-one CAS Name: 3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-1-[2-[2-(methylthio)-1-oxoethyl]-1-pyrazolidinyl]-2-propen-1-one IUPAC Name: 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[2-(2-methylsulfanylacetyl)pyrazolidin-1-yl]prop-2-en-1-one Traditional Name: 3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-1-[2-[2-(methylthio)acetyl]pyrazolidin-1-yl]prop-2-en-1-one Formula: C14H19ClN4O2S MolecularWeight: 342.84426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)N2CCCN2C(=O)CSC)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C=CC(=O)N2CCCN2C(=O)CSC)Cl)C

InChI

InChI=1S/C14H19ClN4O2S/c1-10-11(14(15)17(2)16-10)5-6-12(20)18-7-4-8-19(18)13(21)9-22-3/h5-6H,4,7-9H2,1-3H3