N-[(2-chloranylpyridin-3-yl)carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[(2-chloranylpyridin-3-yl)carbamothioyl]-2-nitro-benzamide Openeye Name: N-[(2-chloro-3-pyridyl)carbamothioyl]-2-nitro-benzamide CAS Name: N-[[(2-chloro-3-pyridinyl)amino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[(2-chloropyridin-3-yl)carbamothioyl]-2-nitrobenzamide Traditional Name: N-[(2-chloro-3-pyridyl)thiocarbamoyl]-2-nitro-benzamide Formula: C13H9ClN4O3S MolecularWeight: 336.75356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9ClN4O3S/c14-11-9(5-3-7-15-11)16-13(22)17-12(19)8-4-1-2-6-10(8)18(20)21/h1-7H,(H2,16,17,19,22)