4-[(1-methylpyrazol-4-yl)sulfamoylmethyl]benzenecarbothioamide

Systemtic Name: 4-[(1-methylpyrazol-4-yl)sulfamoylmethyl]benzenecarbothioamide Openeye Name: 4-[(1-methylpyrazol-4-yl)sulfamoylmethyl]benzenecarbothioamide CAS Name: 4-[(1-methyl-4-pyrazolyl)sulfamoylmethyl]benzenecarbothioamide IUPAC Name: 4-[(1-methylpyrazol-4-yl)sulfamoylmethyl]benzenecarbothioamide Traditional Name: 4-[(1-methylpyrazol-4-yl)sulfamoylmethyl]thiobenzamide Formula: C12H14N4O2S2 MolecularWeight: 310.39516

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)NS(=O)(=O)CC2=CC=C(C=C2)C(=S)N

Isomeric SMILES

CN1C=C(C=N1)NS(=O)(=O)CC2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C12H14N4O2S2/c1-16-7-11(6-14-16)15-20(17,18)8-9-2-4-10(5-3-9)12(13)19/h2-7,15H,8H2,1H3,(H2,13,19)