N-[[2-chloranyl-5-(trifluoromethyl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[[2-chloranyl-5-(trifluoromethyl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[2-chloro-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[[2-chloro-5-(trifluoromethyl)phenyl]thiocarbamoyl]piazthiole-5-carboxamide Formula: C15H8ClF3N4OS2 MolecularWeight: 416.82843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C=C1C(=O)NC(=S)NC3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

C1=CC2=NSN=C2C=C1C(=O)NC(=S)NC3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C15H8ClF3N4OS2/c16-9-3-2-8(15(17,18)19)6-11(9)20-14(25)21-13(24)7-1-4-10-12(5-7)23-26-22-10/h1-6H,(H2,20,21,24,25)