N-[(5-bromanylpyridin-2-yl)carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[(5-bromanylpyridin-2-yl)carbamothioyl]-2-nitro-benzamide Openeye Name: N-[(5-bromo-2-pyridyl)carbamothioyl]-2-nitro-benzamide CAS Name: N-[[(5-bromo-2-pyridinyl)amino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[(5-bromopyridin-2-yl)carbamothioyl]-2-nitrobenzamide Traditional Name: N-[(5-bromo-2-pyridyl)thiocarbamoyl]-2-nitro-benzamide Formula: C13H9BrN4O3S MolecularWeight: 381.20456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=NC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=NC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H9BrN4O3S/c14-8-5-6-11(15-7-8)16-13(22)17-12(19)9-3-1-2-4-10(9)18(20)21/h1-7H,(H2,15,16,17,19,22)