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

Systemtic Name: 4-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]but-3-yn-2-yl N-methyl-N-oxidanyl-carbamodithioate Openeye Name: [3-[5-(4-chlorophenyl)-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-(4-chlorophenyl)-1-(4-sulfamoylphenyl)-3-pyrazolyl]but-3-yn-2-yl ester IUPAC Name: 4-[5-(4-chlorophenyl)-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-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]-1-methyl-prop-2-ynyl] ester Formula: C21H19ClN4O3S3 MolecularWeight: 507.04856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H19ClN4O3S3/c1-14(31-21(30)25(2)27)3-8-17-13-20(15-4-6-16(22)7-5-15)26(24-17)18-9-11-19(12-10-18)32(23,28)29/h4-7,9-14,27H,1-2H3,(H2,23,28,29)