2-(pyridin-4-ylsulfamoylmethyl)benzenecarbothioamide

Systemtic Name: 2-(pyridin-4-ylsulfamoylmethyl)benzenecarbothioamide Openeye Name: 2-(4-pyridylsulfamoylmethyl)benzenecarbothioamide CAS Name: 2-(pyridin-4-ylsulfamoylmethyl)benzenecarbothioamide IUPAC Name: 2-(pyridin-4-ylsulfamoylmethyl)benzenecarbothioamide Traditional Name: 2-(4-pyridylsulfamoylmethyl)thiobenzamide Formula: C13H13N3O2S2 MolecularWeight: 307.39122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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