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

Systemtic Name: 6-chloranyl-4-(2-pyridin-2-ylethyl)-1,2-benzothiazol-3-one hydrochloride Openeye Name: 6-chloro-4-[2-(2-pyridyl)ethyl]-1,2-benzothiazol-3-one hydrochloride CAS Name: 6-chloro-4-[2-(2-pyridinyl)ethyl]-1,2-benzothiazol-3-one hydrochloride IUPAC Name: 6-chloro-4-(2-pyridin-2-ylethyl)-1,2-benzothiazol-3-one hydrochloride Traditional Name: 6-chloro-4-[2-(2-pyridyl)ethyl]-1,2-benzothiazol-3-one hydrochloride Formula: C14H12Cl2N2OS MolecularWeight: 327.22888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCC2=CC(=CC3=C2C(=O)NS3)Cl.Cl

Isomeric SMILES

C1=CC=NC(=C1)CCC2=CC(=CC3=C2C(=O)NS3)Cl.Cl

InChI

InChI=1S/C14H11ClN2OS.ClH/c15-10-7-9(4-5-11-3-1-2-6-16-11)13-12(8-10)19-17-14(13)18;/h1-3,6-8H,4-5H2,(H,17,18);1H