N-[3-(2-pyridin-2-ylethynyl)phenyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[3-(2-pyridin-2-ylethynyl)phenyl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[3-[2-(2-pyridyl)ethynyl]phenyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[3-(2-pyridin-2-ylethynyl)phenyl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[3-[2-(2-pyridyl)ethynyl]phenyl]-1,3-benzothiazole-6-carboxamide Formula: C21H13N3OS MolecularWeight: 355.41242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C21H13N3OS/c25-21(16-8-10-19-20(13-16)26-14-23-19)24-18-6-3-4-15(12-18)7-9-17-5-1-2-11-22-17/h1-6,8,10-14H,(H,24,25)