N-[[3,5-bis(bromanyl)pyridin-2-yl]carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[[3,5-bis(bromanyl)pyridin-2-yl]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[(3,5-dibromo-2-pyridyl)carbamothioyl]-4-nitro-benzamide CAS Name: N-[[(3,5-dibromo-2-pyridinyl)amino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[(3,5-dibromopyridin-2-yl)carbamothioyl]-4-nitrobenzamide Traditional Name: N-[(3,5-dibromo-2-pyridyl)thiocarbamoyl]-4-nitro-benzamide Formula: C13H8Br2N4O3S MolecularWeight: 460.10062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(=S)NC2=C(C=C(C=N2)Br)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(=S)NC2=C(C=C(C=N2)Br)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H8Br2N4O3S/c14-8-5-10(15)11(16-6-8)17-13(23)18-12(20)7-1-3-9(4-2-7)19(21)22/h1-6H,(H2,16,17,18,20,23)