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

Systemtic Name: N-[4-bromanyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[4-bromo-1-(p-tolylmethyl)pyrazol-3-yl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[4-bromo-1-[(4-methylphenyl)methyl]-3-pyrazolyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[4-bromo-1-(4-methylbenzyl)pyrazol-3-yl]piazthiole-4-sulfonamide Formula: C17H14BrN5O2S2 MolecularWeight: 464.35936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C(=N2)NS(=O)(=O)C3=CC=CC4=NSN=C43)Br

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C(=N2)NS(=O)(=O)C3=CC=CC4=NSN=C43)Br

InChI

InChI=1S/C17H14BrN5O2S2/c1-11-5-7-12(8-6-11)9-23-10-13(18)17(19-23)22-27(24,25)15-4-2-3-14-16(15)21-26-20-14/h2-8,10H,9H2,1H3,(H,19,22)