3,5-dinitro-N-[(4-phenyldiazenylphenyl)carbamothioyl]benzamide

Systemtic Name: 3,5-dinitro-N-[(4-phenyldiazenylphenyl)carbamothioyl]benzamide Openeye Name: 3,5-dinitro-N-[(4-phenylazophenyl)carbamothioyl]benzamide CAS Name: 3,5-dinitro-N-[(4-phenyldiazenylanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-[(4-phenyldiazenylphenyl)carbamothioyl]benzamide Traditional Name: 3,5-dinitro-N-[(4-phenylazophenyl)thiocarbamoyl]benzamide Formula: C20H14N6O5S MolecularWeight: 450.42736

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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)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H14N6O5S/c27-19(13-10-17(25(28)29)12-18(11-13)26(30)31)22-20(32)21-14-6-8-16(9-7-14)24-23-15-4-2-1-3-5-15/h1-12H,(H2,21,22,27,32)