4-(1,3-benzothiazol-2-ylsulfanyl)-3-oxidanylidene-2-phenyl-butanenitrile bromide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-3-oxidanylidene-2-phenyl-butanenitrile bromide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-3-oxo-2-phenyl-butanenitrile bromide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-3-oxo-2-phenylbutanenitrile bromide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-3-oxo-2-phenylbutanenitrile bromide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-3-keto-2-phenyl-butyronitrile bromide Formula: C17H12BrN2OS2- MolecularWeight: 404.32398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C#N)C(=O)CSC2=NC3=CC=CC=C3S2.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(C#N)C(=O)CSC2=NC3=CC=CC=C3S2.[Br-]

InChI

InChI=1S/C17H12N2OS2.BrH/c18-10-13(12-6-2-1-3-7-12)15(20)11-21-17-19-14-8-4-5-9-16(14)22-17;/h1-9,13H,11H2;1H/p-1