5-bromanyl-N-(pyridin-3-ylcarbamothioyl)pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-(pyridin-3-ylcarbamothioyl)pyridine-3-carboxamide Openeye Name: 5-bromo-N-(3-pyridylcarbamothioyl)pyridine-3-carboxamide CAS Name: 5-bromo-N-[(3-pyridinylamino)-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-(pyridin-3-ylcarbamothioyl)pyridine-3-carboxamide Traditional Name: 5-bromo-N-(3-pyridylthiocarbamoyl)nicotinamide Formula: C12H9BrN4OS MolecularWeight: 337.19506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)NC(=S)NC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

C1=CC(=CN=C1)NC(=S)NC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C12H9BrN4OS/c13-9-4-8(5-15-6-9)11(18)17-12(19)16-10-2-1-3-14-7-10/h1-7H,(H2,16,17,18,19)