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

Systemtic Name: 3-[5-(3-fluoranyl-4-methoxy-phenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]prop-2-ynyl N-methyl-N-oxidanyl-carbamodithioate Openeye Name: 3-[5-(3-fluoro-4-methoxy-phenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]prop-2-ynyl N-hydroxy-N-methyl-carbamodithioate CAS Name: N-hydroxy-N-methylcarbamodithioic acid 3-[5-(3-fluoro-4-methoxyphenyl)-1-(4-sulfamoylphenyl)-3-pyrazolyl]prop-2-ynyl ester IUPAC Name: 3-[5-(3-fluoro-4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]prop-2-ynyl 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]prop-2-ynyl ester Formula: C21H19FN4O4S3 MolecularWeight: 506.593363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19FN4O4S3/c1-25(27)21(31)32-11-3-4-15-13-19(14-5-10-20(30-2)18(22)12-14)26(24-15)16-6-8-17(9-7-16)33(23,28)29/h5-10,12-13,27H,11H2,1-2H3,(H2,23,28,29)