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

Systemtic Name: 3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-1-[2-(5-methylsulfonylthiophen-2-yl)carbonylpyrazolidin-1-yl]prop-2-en-1-one Openeye Name: 3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-1-[2-(5-methylsulfonylthiophene-2-carbonyl)pyrazolidin-1-yl]prop-2-en-1-one CAS Name: 3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-1-[2-[(5-methylsulfonyl-2-thiophenyl)-oxomethyl]-1-pyrazolidinyl]-2-propen-1-one IUPAC Name: 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[2-(5-methylsulfonylthiophene-2-carbonyl)pyrazolidin-1-yl]prop-2-en-1-one Traditional Name: 3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-1-[2-(5-mesylthiophene-2-carbonyl)pyrazolidin-1-yl]prop-2-en-1-one Formula: C17H19ClN4O4S2 MolecularWeight: 442.94016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)N2CCCN2C(=O)C3=CC=C(S3)S(=O)(=O)C)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C=CC(=O)N2CCCN2C(=O)C3=CC=C(S3)S(=O)(=O)C)Cl)C

InChI

InChI=1S/C17H19ClN4O4S2/c1-11-12(16(18)20(2)19-11)5-7-14(23)21-9-4-10-22(21)17(24)13-6-8-15(27-13)28(3,25)26/h5-8H,4,9-10H2,1-3H3