3-nitro-N-[(4-phenyldiazenylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-nitro-N-[(4-phenyldiazenylphenyl)carbamothioyl]benzamide Openeye Name: 3-nitro-N-[(4-phenylazophenyl)carbamothioyl]benzamide CAS Name: 3-nitro-N-[(4-phenyldiazenylanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-N-[(4-phenyldiazenylphenyl)carbamothioyl]benzamide Traditional Name: 3-nitro-N-[(4-phenylazophenyl)thiocarbamoyl]benzamide Formula: C20H15N5O3S MolecularWeight: 405.4298

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C20H15N5O3S/c26-19(14-5-4-8-18(13-14)25(27)28)22-20(29)21-15-9-11-17(12-10-15)24-23-16-6-2-1-3-7-16/h1-13H,(H2,21,22,26,29)