N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[1-[(4-bromophenyl)methyl]-3-pyrazolyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[1-(4-bromobenzyl)pyrazol-3-yl]piazthiole-4-sulfonamide Formula: C16H12BrN5O2S2 MolecularWeight: 450.33278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C(=C1)S(=O)(=O)NC3=NN(C=C3)CC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC2=NSN=C2C(=C1)S(=O)(=O)NC3=NN(C=C3)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C16H12BrN5O2S2/c17-12-6-4-11(5-7-12)10-22-9-8-15(18-22)21-26(23,24)14-3-1-2-13-16(14)20-25-19-13/h1-9H,10H2,(H,18,21)