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

Systemtic Name: 3-nitro-N-[(3-oxidanylpyridin-2-yl)carbamothioyl]benzamide Openeye Name: N-[(3-hydroxy-2-pyridyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[[(3-hydroxy-2-pyridinyl)amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(3-hydroxypyridin-2-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(3-hydroxy-2-pyridyl)thiocarbamoyl]-3-nitro-benzamide Formula: C13H10N4O4S MolecularWeight: 318.3079

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N4O4S/c18-10-5-2-6-14-11(10)15-13(22)16-12(19)8-3-1-4-9(7-8)17(20)21/h1-7,18H,(H2,14,15,16,19,22)