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

Systemtic Name: N-[4-bromanyl-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[4-bromo-1-[(4-chlorophenyl)methyl]-3-pyrazolyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[4-bromo-1-(4-chlorobenzyl)pyrazol-3-yl]piazthiole-4-sulfonamide Formula: C16H11BrClN5O2S2 MolecularWeight: 484.77784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C(=C1)S(=O)(=O)NC3=NN(C=C3Br)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC2=NSN=C2C(=C1)S(=O)(=O)NC3=NN(C=C3Br)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C16H11BrClN5O2S2/c17-12-9-23(8-10-4-6-11(18)7-5-10)19-16(12)22-27(24,25)14-3-1-2-13-15(14)21-26-20-13/h1-7,9H,8H2,(H,19,22)