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

Systemtic Name: 4-[5-(3-fluoranyl-4-methoxy-phenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]but-3-yn-2-yl N-methyl-N-oxidanyl-carbamodithioate Openeye Name: [3-[5-(3-fluoro-4-methoxy-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-fluoro-4-methoxyphenyl)-1-(4-sulfamoylphenyl)-3-pyrazolyl]but-3-yn-2-yl ester IUPAC Name: 4-[5-(3-fluoro-4-methoxyphenyl)-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-fluoro-4-methoxy-phenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]-1-methyl-prop-2-ynyl] ester Formula: C22H21FN4O4S3 MolecularWeight: 520.619943

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H21FN4O4S3/c1-14(33-22(32)26(2)28)4-6-16-13-20(15-5-11-21(31-3)19(23)12-15)27(25-16)17-7-9-18(10-8-17)34(24,29)30/h5,7-14,28H,1-3H3,(H2,24,29,30)