4-[5-(3-chloranyl-4-fluoranyl-phenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]but-3-yn-2-yl N-methyl-N-oxidanyl-carbamodithioate

Systemtic Name: 4-[5-(3-chloranyl-4-fluoranyl-phenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]but-3-yn-2-yl N-methyl-N-oxidanyl-carbamodithioate Openeye Name: [3-[5-(3-chloro-4-fluoro-phenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]-1-methyl-prop-2-ynyl] N-hydroxy-N-methyl-carbamodithioate CAS Name: N-hydroxy-N-methylcarbamodithioic acid 4-[5-(3-chloro-4-fluorophenyl)-1-(4-sulfamoylphenyl)-3-pyrazolyl]but-3-yn-2-yl ester IUPAC Name: 4-[5-(3-chloro-4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]but-3-yn-2-yl N-hydroxy-N-methylcarbamodithioate Traditional Name: N-hydroxy-N-methyl-carbamodithioic acid [3-[5-(3-chloro-4-fluoro-phenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]-1-methyl-prop-2-ynyl] ester Formula: C21H18ClFN4O3S3 MolecularWeight: 525.039023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=NN(C(=C1)C2=CC(=C(C=C2)F)Cl)C3=CC=C(C=C3)S(=O)(=O)N)SC(=S)N(C)O

Isomeric SMILES

CC(C#CC1=NN(C(=C1)C2=CC(=C(C=C2)F)Cl)C3=CC=C(C=C3)S(=O)(=O)N)SC(=S)N(C)O

InChI

InChI=1S/C21H18ClFN4O3S3/c1-13(32-21(31)26(2)28)3-5-15-12-20(14-4-10-19(23)18(22)11-14)27(25-15)16-6-8-17(9-7-16)33(24,29)30/h4,6-13,28H,1-2H3,(H2,24,29,30)