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

Systemtic Name: N-[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]piazthiole-4-sulfonamide Formula: C18H16BrN5O2S2 MolecularWeight: 478.38594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC4=NSN=C43)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC4=NSN=C43)C)Br

InChI

InChI=1S/C18H16BrN5O2S2/c1-11-17(19)12(2)24(20-11)10-13-5-3-6-14(9-13)23-28(25,26)16-8-4-7-15-18(16)22-27-21-15/h3-9,23H,10H2,1-2H3