S-(4-nitrophenyl) 6-methanoylpyridine-2-carbothioate

Systemtic Name: S-(4-nitrophenyl) 6-methanoylpyridine-2-carbothioate Openeye Name: S-(4-nitrophenyl) 6-formylpyridine-2-carbothioate CAS Name: 6-formyl-2-pyridinecarbothioic acid S-(4-nitrophenyl) ester IUPAC Name: S-(4-nitrophenyl) 6-formylpyridine-2-carbothioate Traditional Name: 6-formylpyridine-2-carbothioic acid S-(4-nitrophenyl) ester Formula: C13H8N2O4S MolecularWeight: 288.27862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC(=C1)C(=O)SC2=CC=C(C=C2)[N+](=O)[O-])C=O

Isomeric SMILES

C1=CC(=NC(=C1)C(=O)SC2=CC=C(C=C2)[N+](=O)[O-])C=O

InChI

InChI=1S/C13H8N2O4S/c16-8-9-2-1-3-12(14-9)13(17)20-11-6-4-10(5-7-11)15(18)19/h1-8H