(E)-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-3-(4-nitrophenyl)acrylamide Formula: C16H12N4O6S MolecularWeight: 388.35468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4O6S/c21-14-7-6-12(20(25)26)9-13(14)17-16(27)18-15(22)8-3-10-1-4-11(5-2-10)19(23)24/h1-9,21H,(H2,17,18,22,27)/b8-3+