[(E)-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]prop-2-enyl] N-methyl-N-oxidanyl-carbamodithioate

Systemtic Name: [(E)-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]prop-2-enyl] N-methyl-N-oxidanyl-carbamodithioate Openeye Name: [(E)-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]allyl] N-hydroxy-N-methyl-carbamodithioate CAS Name: N-hydroxy-N-methylcarbamodithioic acid [(E)-3-[5-phenyl-1-(4-sulfamoylphenyl)-3-pyrazolyl]prop-2-enyl] ester IUPAC Name: [(E)-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]prop-2-enyl] N-hydroxy-N-methylcarbamodithioate Traditional Name: N-hydroxy-N-methyl-carbamodithioic acid [(E)-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]allyl] ester Formula: C20H20N4O3S3 MolecularWeight: 460.5928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN(C(=S)SC/C=C/C1=NN(C(=C1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N)O

InChI

InChI=1S/C20H20N4O3S3/c1-23(25)20(28)29-13-5-8-16-14-19(15-6-3-2-4-7-15)24(22-16)17-9-11-18(12-10-17)30(21,26)27/h2-12,14,25H,13H2,1H3,(H2,21,26,27)/b8-5+