N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]pyridine-3-carboxamide

Systemtic Name: N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[(2-bromo-4-nitro-phenyl)carbamothioyl]pyridine-3-carboxamide CAS Name: N-[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[(2-bromo-4-nitrophenyl)carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[(2-bromo-4-nitro-phenyl)thiocarbamoyl]nicotinamide Formula: C13H9BrN4O3S MolecularWeight: 381.20456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9BrN4O3S/c14-10-6-9(18(20)21)3-4-11(10)16-13(22)17-12(19)8-2-1-5-15-7-8/h1-7H,(H2,16,17,19,22)