[2-[2-(3,4-dichlorophenyl)sulfanylethyl]-5-methyl-pyrazol-3-yl] 3-chloranylbenzenesulfonate

Systemtic Name: [2-[2-(3,4-dichlorophenyl)sulfanylethyl]-5-methyl-pyrazol-3-yl] 3-chloranylbenzenesulfonate Openeye Name: [2-[2-(3,4-dichlorophenyl)sulfanylethyl]-5-methyl-pyrazol-3-yl] 3-chlorobenzenesulfonate CAS Name: 3-chlorobenzenesulfonic acid [2-[2-[(3,4-dichlorophenyl)thio]ethyl]-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-[2-(3,4-dichlorophenyl)sulfanylethyl]-5-methylpyrazol-3-yl] 3-chlorobenzenesulfonate Traditional Name: 3-chlorobenzenesulfonic acid [2-[2-[(3,4-dichlorophenyl)thio]ethyl]-5-methyl-pyrazol-3-yl] ester Formula: C18H15Cl3N2O3S2 MolecularWeight: 477.8123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)OS(=O)(=O)C2=CC(=CC=C2)Cl)CCSC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=NN(C(=C1)OS(=O)(=O)C2=CC(=CC=C2)Cl)CCSC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H15Cl3N2O3S2/c1-12-9-18(26-28(24,25)15-4-2-3-13(19)10-15)23(22-12)7-8-27-14-5-6-16(20)17(21)11-14/h2-6,9-11H,7-8H2,1H3