4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoylmethyl]benzenecarbothioamide

Systemtic Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoylmethyl]benzenecarbothioamide Openeye Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoylmethyl]benzenecarbothioamide CAS Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoylmethyl]benzenecarbothioamide IUPAC Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoylmethyl]benzenecarbothioamide Traditional Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoylmethyl]thiobenzamide Formula: C13H16N4O2S2 MolecularWeight: 324.42174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)NS(=O)(=O)CC2=CC=C(C=C2)C(=S)N

Isomeric SMILES

CC1=C(C(=NN1)C)NS(=O)(=O)CC2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C13H16N4O2S2/c1-8-12(9(2)16-15-8)17-21(18,19)7-10-3-5-11(6-4-10)13(14)20/h3-6,17H,7H2,1-2H3,(H2,14,20)(H,15,16)