3-[4-[[1-(4-chlorophenyl)-5-methyl-pyrazol-4-yl]carbonylamino]-2-cyano-phenyl]sulfanylpropyl methanesulfonate

Systemtic Name: 3-[4-[[1-(4-chlorophenyl)-5-methyl-pyrazol-4-yl]carbonylamino]-2-cyano-phenyl]sulfanylpropyl methanesulfonate Openeye Name: 3-[4-[[1-(4-chlorophenyl)-5-methyl-pyrazole-4-carbonyl]amino]-2-cyano-phenyl]sulfanylpropyl methanesulfonate CAS Name: methanesulfonic acid 3-[[4-[[[1-(4-chlorophenyl)-5-methyl-4-pyrazolyl]-oxomethyl]amino]-2-cyanophenyl]thio]propyl ester IUPAC Name: 3-[4-[[1-(4-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2-cyanophenyl]sulfanylpropyl methanesulfonate Traditional Name: methanesulfonic acid 3-[[4-[[1-(4-chlorophenyl)-5-methyl-pyrazole-4-carbonyl]amino]-2-cyano-phenyl]thio]propyl ester Formula: C22H21ClN4O4S2 MolecularWeight: 505.00954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=C(C=C3)SCCCOS(=O)(=O)C)C#N

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=C(C=C3)SCCCOS(=O)(=O)C)C#N

InChI

InChI=1S/C22H21ClN4O4S2/c1-15-20(14-25-27(15)19-7-4-17(23)5-8-19)22(28)26-18-6-9-21(16(12-18)13-24)32-11-3-10-31-33(2,29)30/h4-9,12,14H,3,10-11H2,1-2H3,(H,26,28)