1-(2,1,3-benzothiadiazol-4-yl)-3-[3-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-(2,1,3-benzothiadiazol-4-yl)-3-[3-(trifluoromethyl)phenyl]urea Openeye Name: 1-(2,1,3-benzothiadiazol-4-yl)-3-[3-(trifluoromethyl)phenyl]urea CAS Name: 1-(2,1,3-benzothiadiazol-4-yl)-3-[3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-(2,1,3-benzothiadiazol-4-yl)-3-[3-(trifluoromethyl)phenyl]urea Traditional Name: 1-piazthiol-4-yl-3-[3-(trifluoromethyl)phenyl]urea Formula: C14H9F3N4OS MolecularWeight: 338.30767

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NC2=CC=CC3=NSN=C32)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NC2=CC=CC3=NSN=C32)C(F)(F)F

InChI

InChI=1S/C14H9F3N4OS/c15-14(16,17)8-3-1-4-9(7-8)18-13(22)19-10-5-2-6-11-12(10)21-23-20-11/h1-7H,(H2,18,19,22)