S-[[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl] ethanethioate

Systemtic Name: S-[[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl] ethanethioate Openeye Name: S-[[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)-3-pyrazolyl]methyl] ester IUPAC Name: S-[[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl] ester Formula: C18H16ClN3O3S2 MolecularWeight: 421.92094

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=NN(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC(=O)SCC1=NN(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C18H16ClN3O3S2/c1-12(23)26-11-15-10-18(13-2-4-14(19)5-3-13)22(21-15)16-6-8-17(9-7-16)27(20,24)25/h2-10H,11H2,1H3,(H2,20,24,25)