N-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thiocarbamoyl]-4-nitro-benzamide Formula: C14H8ClF3N4O3S MolecularWeight: 404.75153

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(=S)NC2=C(C=C(C=N2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(=S)NC2=C(C=C(C=N2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H8ClF3N4O3S/c15-10-5-8(14(16,17)18)6-19-11(10)20-13(26)21-12(23)7-1-3-9(4-2-7)22(24)25/h1-6H,(H2,19,20,21,23,26)