N-[(5-chloranylpyridin-2-yl)carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[(5-chloranylpyridin-2-yl)carbamothioyl]-4-nitro-benzamide Openeye Name: N-[(5-chloro-2-pyridyl)carbamothioyl]-4-nitro-benzamide CAS Name: N-[[(5-chloro-2-pyridinyl)amino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[(5-chloropyridin-2-yl)carbamothioyl]-4-nitrobenzamide Traditional Name: N-[(5-chloro-2-pyridyl)thiocarbamoyl]-4-nitro-benzamide Formula: C13H9ClN4O3S MolecularWeight: 336.75356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(=S)NC2=NC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(=S)NC2=NC=C(C=C2)Cl)[N+](=O)[O-]

InChI

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