4-(pyridin-4-ylsulfamoylmethyl)benzenecarbothioamide

Systemtic Name: 4-(pyridin-4-ylsulfamoylmethyl)benzenecarbothioamide Openeye Name: 4-(4-pyridylsulfamoylmethyl)benzenecarbothioamide CAS Name: 4-(pyridin-4-ylsulfamoylmethyl)benzenecarbothioamide IUPAC Name: 4-(pyridin-4-ylsulfamoylmethyl)benzenecarbothioamide Traditional Name: 4-(4-pyridylsulfamoylmethyl)thiobenzamide Formula: C13H13N3O2S2 MolecularWeight: 307.39122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS(=O)(=O)NC2=CC=NC=C2)C(=S)N

Isomeric SMILES

C1=CC(=CC=C1CS(=O)(=O)NC2=CC=NC=C2)C(=S)N

InChI

InChI=1S/C13H13N3O2S2/c14-13(19)11-3-1-10(2-4-11)9-20(17,18)16-12-5-7-15-8-6-12/h1-8H,9H2,(H2,14,19)(H,15,16)