5-(3-chloranyl-4-methyl-phenyl)-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(3-chloranyl-4-methyl-phenyl)-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3-chloro-4-methyl-phenyl)-N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(3-chloro-4-methylphenyl)-N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3-chloro-4-methylphenyl)-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3-chloro-4-methyl-phenyl)-N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-2-furamide Formula: C19H14ClN3O5S MolecularWeight: 431.84956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])O)Cl

InChI

InChI=1S/C19H14ClN3O5S/c1-10-2-3-11(8-13(10)20)16-6-7-17(28-16)18(25)22-19(29)21-14-9-12(23(26)27)4-5-15(14)24/h2-9,24H,1H3,(H2,21,22,25,29)