N-[3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]propyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]piazthiole-4-sulfonamide Formula: C14H13BrF3N5O2S2 MolecularWeight: 484.31453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCNS(=O)(=O)C2=CC=CC3=NSN=C32)C(F)(F)F)Br

Isomeric SMILES

CC1=C(C(=NN1CCCNS(=O)(=O)C2=CC=CC3=NSN=C32)C(F)(F)F)Br

InChI

InChI=1S/C14H13BrF3N5O2S2/c1-8-11(15)13(14(16,17)18)20-23(8)7-3-6-19-27(24,25)10-5-2-4-9-12(10)22-26-21-9/h2,4-5,19H,3,6-7H2,1H3