N-[(2-cyanophenyl)carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[(2-cyanophenyl)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(2-cyanophenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[(2-cyanoanilino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(2-cyanophenyl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(2-cyanophenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C15H9N5O5S MolecularWeight: 371.32746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9N5O5S/c16-8-9-3-1-2-4-13(9)17-15(26)18-14(21)10-5-11(19(22)23)7-12(6-10)20(24)25/h1-7H,(H2,17,18,21,26)