N-[(4-methylphenyl)carbamothioyl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[(4-methylphenyl)carbamothioyl]-5-nitro-furan-2-carboxamide Openeye Name: 5-nitro-N-(p-tolylcarbamothioyl)furan-2-carboxamide CAS Name: N-[(4-methylanilino)-sulfanylidenemethyl]-5-nitro-2-furancarboxamide IUPAC Name: N-[(4-methylphenyl)carbamothioyl]-5-nitrofuran-2-carboxamide Traditional Name: 5-nitro-N-(p-tolylthiocarbamoyl)-2-furamide Formula: C13H11N3O4S MolecularWeight: 305.30914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O4S/c1-8-2-4-9(5-3-8)14-13(21)15-12(17)10-6-7-11(20-10)16(18)19/h2-7H,1H3,(H2,14,15,17,21)