N-[[2-chloranyl-5-(trifluoromethyl)phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[2-chloranyl-5-(trifluoromethyl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[2-chloro-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[2-chloro-5-(trifluoromethyl)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C15H9ClF3N3O3S MolecularWeight: 403.76347

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9ClF3N3O3S/c16-11-5-4-9(15(17,18)19)7-12(11)20-14(26)21-13(23)8-2-1-3-10(6-8)22(24)25/h1-7H,(H2,20,21,23,26)