4-(pyridin-3-ylsulfamoylmethyl)benzenecarbothioamide

Systemtic Name: 4-(pyridin-3-ylsulfamoylmethyl)benzenecarbothioamide Openeye Name: 4-(3-pyridylsulfamoylmethyl)benzenecarbothioamide CAS Name: 4-(3-pyridinylsulfamoylmethyl)benzenecarbothioamide IUPAC Name: 4-(pyridin-3-ylsulfamoylmethyl)benzenecarbothioamide Traditional Name: 4-(3-pyridylsulfamoylmethyl)thiobenzamide Formula: C13H13N3O2S2 MolecularWeight: 307.39122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)NS(=O)(=O)CC2=CC=C(C=C2)C(=S)N

Isomeric SMILES

C1=CC(=CN=C1)NS(=O)(=O)CC2=CC=C(C=C2)C(=S)N

InChI

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