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

Systemtic Name: 3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-1-[2-[2-[2-(phenylsulfonyl)ethylsulfanyl]ethanoyl]pyrazolidin-1-yl]prop-2-en-1-one Openeye Name: 1-[2-[2-[2-(benzenesulfonyl)ethylsulfanyl]acetyl]pyrazolidin-1-yl]-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-en-1-one CAS Name: 1-[2-[2-[2-(benzenesulfonyl)ethylthio]-1-oxoethyl]-1-pyrazolidinyl]-3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: 1-[2-[2-[2-(benzenesulfonyl)ethylsulfanyl]acetyl]pyrazolidin-1-yl]-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-en-1-one Traditional Name: 1-[2-[2-(2-besylethylthio)acetyl]pyrazolidin-1-yl]-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-en-1-one Formula: C21H25ClN4O4S2 MolecularWeight: 497.0306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O4S2/c1-16-18(21(22)24(2)23-16)9-10-19(27)25-11-6-12-26(25)20(28)15-31-13-14-32(29,30)17-7-4-3-5-8-17/h3-5,7-10H,6,11-15H2,1-2H3