[4-[2-[(3-chloranyl-1-methyl-5-methylsulfanyl-pyrazol-4-yl)methyl]-4,5-dimethyl-pyrazol-3-yl]carbonyl-2-ethyl-pyrazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [4-[2-[(3-chloranyl-1-methyl-5-methylsulfanyl-pyrazol-4-yl)methyl]-4,5-dimethyl-pyrazol-3-yl]carbonyl-2-ethyl-pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [4-[2-[(3-chloro-1-methyl-5-methylsulfanyl-pyrazol-4-yl)methyl]-4,5-dimethyl-pyrazole-3-carbonyl]-2-ethyl-pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[[2-[[3-chloro-1-methyl-5-(methylthio)-4-pyrazolyl]methyl]-4,5-dimethyl-3-pyrazolyl]-oxomethyl]-2-ethyl-3-pyrazolyl] ester IUPAC Name: [4-[2-[(3-chloro-1-methyl-5-methylsulfanylpyrazol-4-yl)methyl]-4,5-dimethylpyrazole-3-carbonyl]-2-ethylpyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[2-[[3-chloro-1-methyl-5-(methylthio)pyrazol-4-yl]methyl]-4,5-dimethyl-pyrazole-3-carbonyl]-2-ethyl-pyrazol-3-yl] ester Formula: C24H27ClN6O4S2 MolecularWeight: 563.09198

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C(=O)C2=C(C(=NN2CC3=C(N(N=C3Cl)C)SC)C)C)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1C(=C(C=N1)C(=O)C2=C(C(=NN2CC3=C(N(N=C3Cl)C)SC)C)C)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H27ClN6O4S2/c1-7-30-23(35-37(33,34)17-10-8-14(2)9-11-17)18(12-26-30)21(32)20-15(3)16(4)27-31(20)13-19-22(25)28-29(5)24(19)36-6/h8-12H,7,13H2,1-6H3