4-(pyridin-3-ylmethylsulfamoyl)benzenecarbothioamide

Systemtic Name: 4-(pyridin-3-ylmethylsulfamoyl)benzenecarbothioamide Openeye Name: 4-(3-pyridylmethylsulfamoyl)benzenecarbothioamide CAS Name: 4-(3-pyridinylmethylsulfamoyl)benzenecarbothioamide IUPAC Name: 4-(pyridin-3-ylmethylsulfamoyl)benzenecarbothioamide Traditional Name: 4-(3-pyridylmethylsulfamoyl)thiobenzamide Formula: C13H13N3O2S2 MolecularWeight: 307.39122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNS(=O)(=O)C2=CC=C(C=C2)C(=S)N

Isomeric SMILES

C1=CC(=CN=C1)CNS(=O)(=O)C2=CC=C(C=C2)C(=S)N

InChI

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