N-[(3-nitrophenyl)carbamothioyl]pyridine-3-carboxamide

Systemtic Name: N-[(3-nitrophenyl)carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[(3-nitrophenyl)carbamothioyl]pyridine-3-carboxamide CAS Name: N-[(3-nitroanilino)-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[(3-nitrophenyl)carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[(3-nitrophenyl)thiocarbamoyl]nicotinamide Formula: C13H10N4O3S MolecularWeight: 302.3085

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CN=CC=C2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C13H10N4O3S/c18-12(9-3-2-6-14-8-9)16-13(21)15-10-4-1-5-11(7-10)17(19)20/h1-8H,(H2,15,16,18,21)