N-[3-(pyrazol-1-ylmethyl)phenyl]-2,1,3-benzothiadiazole-4-carboxamide

Systemtic Name: N-[3-(pyrazol-1-ylmethyl)phenyl]-2,1,3-benzothiadiazole-4-carboxamide Openeye Name: N-[3-(pyrazol-1-ylmethyl)phenyl]-2,1,3-benzothiadiazole-4-carboxamide CAS Name: N-[3-(1-pyrazolylmethyl)phenyl]-2,1,3-benzothiadiazole-4-carboxamide IUPAC Name: N-[3-(pyrazol-1-ylmethyl)phenyl]-2,1,3-benzothiadiazole-4-carboxamide Traditional Name: N-[3-(pyrazol-1-ylmethyl)phenyl]piazthiole-4-carboxamide Formula: C17H13N5OS MolecularWeight: 335.38302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC=CC3=NSN=C32)CN4C=CC=N4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC=CC3=NSN=C32)CN4C=CC=N4

InChI

InChI=1S/C17H13N5OS/c23-17(14-6-2-7-15-16(14)21-24-20-15)19-13-5-1-4-12(10-13)11-22-9-3-8-18-22/h1-10H,11H2,(H,19,23)