(E)-3-(3-nitrophenyl)-N-[(4-phenyldiazenylphenyl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(3-nitrophenyl)-N-[(4-phenyldiazenylphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(3-nitrophenyl)-N-[(4-phenylazophenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(3-nitrophenyl)-N-[(4-phenyldiazenylanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3-nitrophenyl)-N-[(4-phenyldiazenylphenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(3-nitrophenyl)-N-[(4-phenylazophenyl)thiocarbamoyl]acrylamide Formula: C22H17N5O3S MolecularWeight: 431.46708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O3S/c28-21(14-9-16-5-4-8-20(15-16)27(29)30)24-22(31)23-17-10-12-19(13-11-17)26-25-18-6-2-1-3-7-18/h1-15H,(H2,23,24,28,31)/b14-9+,26-25?