N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-(1-benzyl-4-chloropyrazol-3-yl)-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)piazthiole-4-sulfonamide Formula: C16H12ClN5O2S2 MolecularWeight: 405.88178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN5O2S2/c17-12-10-22(9-11-5-2-1-3-6-11)18-16(12)21-26(23,24)14-8-4-7-13-15(14)20-25-19-13/h1-8,10H,9H2,(H,18,21)