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

Systemtic Name: 3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]prop-2-ynyl N-methyl-N-oxidanyl-carbamodithioate Openeye Name: 3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]prop-2-ynyl N-hydroxy-N-methyl-carbamodithioate CAS Name: N-hydroxy-N-methylcarbamodithioic acid 3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)-3-pyrazolyl]prop-2-ynyl ester IUPAC Name: 3-[5-(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-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]prop-2-ynyl ester Formula: C21H20N4O4S3 MolecularWeight: 488.6029

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H20N4O4S3/c1-24(26)21(30)31-13-3-4-16-14-20(15-5-9-18(29-2)10-6-15)25(23-16)17-7-11-19(12-8-17)32(22,27)28/h5-12,14,26H,13H2,1-2H3,(H2,22,27,28)