N-[(2-cyanophenyl)carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[(2-cyanophenyl)carbamothioyl]-2-nitro-benzamide Openeye Name: N-[(2-cyanophenyl)carbamothioyl]-2-nitro-benzamide CAS Name: N-[(2-cyanoanilino)-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[(2-cyanophenyl)carbamothioyl]-2-nitrobenzamide Traditional Name: N-[(2-cyanophenyl)thiocarbamoyl]-2-nitro-benzamide Formula: C15H10N4O3S MolecularWeight: 326.3299

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C15H10N4O3S/c16-9-10-5-1-3-7-12(10)17-15(23)18-14(20)11-6-2-4-8-13(11)19(21)22/h1-8H,(H2,17,18,20,23)