4-(2-pyridin-2-ylethyl)-1,2-benzothiazol-3-one

Systemtic Name: 4-(2-pyridin-2-ylethyl)-1,2-benzothiazol-3-one Openeye Name: 4-[2-(2-pyridyl)ethyl]-1,2-benzothiazol-3-one CAS Name: 4-[2-(2-pyridinyl)ethyl]-1,2-benzothiazol-3-one IUPAC Name: 4-(2-pyridin-2-ylethyl)-1,2-benzothiazol-3-one Traditional Name: 4-[2-(2-pyridyl)ethyl]-1,2-benzothiazol-3-one Formula: C14H12N2OS MolecularWeight: 256.32288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCC2=C3C(=CC=C2)SNC3=O

Isomeric SMILES

C1=CC=NC(=C1)CCC2=C3C(=CC=C2)SNC3=O

InChI

InChI=1S/C14H12N2OS/c17-14-13-10(4-3-6-12(13)18-16-14)7-8-11-5-1-2-9-15-11/h1-6,9H,7-8H2,(H,16,17)