4-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-bromanylpyridin-2-yl)butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-bromanylpyridin-2-yl)butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-bromo-2-pyridyl)butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-(5-bromo-2-pyridinyl)butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-bromopyridin-2-yl)butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-(5-bromo-2-pyridyl)butyramide Formula: C16H14BrN3OS2 MolecularWeight: 408.33586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)NC3=NC=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)NC3=NC=C(C=C3)Br

InChI

InChI=1S/C16H14BrN3OS2/c17-11-7-8-14(18-10-11)20-15(21)6-3-9-22-16-19-12-4-1-2-5-13(12)23-16/h1-2,4-5,7-8,10H,3,6,9H2,(H,18,20,21)