N-[[3,5-bis(bromanyl)pyridin-2-yl]carbamothioyl]-5-bromanyl-pyridine-3-carboxamide

Systemtic Name: N-[[3,5-bis(bromanyl)pyridin-2-yl]carbamothioyl]-5-bromanyl-pyridine-3-carboxamide Openeye Name: 5-bromo-N-[(3,5-dibromo-2-pyridyl)carbamothioyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[[(3,5-dibromo-2-pyridinyl)amino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[(3,5-dibromopyridin-2-yl)carbamothioyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[(3,5-dibromo-2-pyridyl)thiocarbamoyl]nicotinamide Formula: C12H7Br3N4OS MolecularWeight: 494.98718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NC=C1Br)C(=O)NC(=S)NC2=C(C=C(C=N2)Br)Br

Isomeric SMILES

C1=C(C=NC=C1Br)C(=O)NC(=S)NC2=C(C=C(C=N2)Br)Br

InChI

InChI=1S/C12H7Br3N4OS/c13-7-1-6(3-16-4-7)11(20)19-12(21)18-10-9(15)2-8(14)5-17-10/h1-5H,(H2,17,18,19,20,21)