4-[4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]but-3-yn-2-yl N-methyl-N-oxidanyl-carbamodithioate

Systemtic Name: 4-[4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]but-3-yn-2-yl N-methyl-N-oxidanyl-carbamodithioate Openeye Name: [3-[4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]-1-methyl-prop-2-ynyl] N-hydroxy-N-methyl-carbamodithioate CAS Name: N-hydroxy-N-methylcarbamodithioic acid 4-[4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)-1-pyrazolyl]but-3-yn-2-yl ester IUPAC Name: 4-[4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]but-3-yn-2-yl N-hydroxy-N-methylcarbamodithioate Traditional Name: N-hydroxy-N-methyl-carbamodithioic acid [3-[4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]-1-methyl-prop-2-ynyl] ester Formula: C21H19ClN4O3S3 MolecularWeight: 507.04856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CN1C=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)Cl)SC(=S)N(C)O

Isomeric SMILES

CC(C#CN1C=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)Cl)SC(=S)N(C)O

InChI

InChI=1S/C21H19ClN4O3S3/c1-14(31-21(30)25(2)27)11-12-26-13-19(15-3-7-17(22)8-4-15)20(24-26)16-5-9-18(10-6-16)32(23,28)29/h3-10,13-14,27H,1-2H3,(H2,23,28,29)