5-bromanyl-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[(2-methyl-3-nitroanilino)-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[(2-methyl-3-nitrophenyl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[(2-methyl-3-nitro-phenyl)thiocarbamoyl]-2-furamide Formula: C13H10BrN3O4S MolecularWeight: 384.2052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=S)NC(=O)C2=CC=C(O2)Br

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=S)NC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C13H10BrN3O4S/c1-7-8(3-2-4-9(7)17(19)20)15-13(22)16-12(18)10-5-6-11(14)21-10/h2-6H,1H3,(H2,15,16,18,22)