N-[(3-cyanophenyl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[(3-cyanophenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(3-cyanophenyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[(3-cyanoanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(3-cyanophenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(3-cyanophenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C15H10N4O3S MolecularWeight: 326.3299

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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