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

Systemtic Name: 3-[4-phenyl-3-(4-sulfamoylphenyl)pyrazol-1-yl]prop-2-ynyl N-methyl-N-oxidanyl-carbamodithioate Openeye Name: 3-[4-phenyl-3-(4-sulfamoylphenyl)pyrazol-1-yl]prop-2-ynyl N-hydroxy-N-methyl-carbamodithioate CAS Name: N-hydroxy-N-methylcarbamodithioic acid 3-[4-phenyl-3-(4-sulfamoylphenyl)-1-pyrazolyl]prop-2-ynyl ester IUPAC Name: 3-[4-phenyl-3-(4-sulfamoylphenyl)pyrazol-1-yl]prop-2-ynyl N-hydroxy-N-methylcarbamodithioate Traditional Name: N-hydroxy-N-methyl-carbamodithioic acid 3-[4-phenyl-3-(4-sulfamoylphenyl)pyrazol-1-yl]prop-2-ynyl ester Formula: C20H18N4O3S3 MolecularWeight: 458.57692

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)SCC#CN1C=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3)O

Isomeric SMILES

CN(C(=S)SCC#CN1C=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3)O

InChI

InChI=1S/C20H18N4O3S3/c1-23(25)20(28)29-13-5-12-24-14-18(15-6-3-2-4-7-15)19(22-24)16-8-10-17(11-9-16)30(21,26)27/h2-4,6-11,14,25H,13H2,1H3,(H2,21,26,27)