2-methyl-4-(2-oxidanylidene-1,3-benzothiazol-3-yl)butanenitrile

Systemtic Name: 2-methyl-4-(2-oxidanylidene-1,3-benzothiazol-3-yl)butanenitrile Openeye Name: 2-methyl-4-(2-oxo-1,3-benzothiazol-3-yl)butanenitrile CAS Name: 2-methyl-4-(2-oxo-1,3-benzothiazol-3-yl)butanenitrile IUPAC Name: 2-methyl-4-(2-oxo-1,3-benzothiazol-3-yl)butanenitrile Traditional Name: 4-(2-keto-1,3-benzothiazol-3-yl)-2-methyl-butyronitrile Formula: C12H12N2OS MolecularWeight: 232.30148

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C2=CC=CC=C2SC1=O)C#N

Isomeric SMILES

CC(CCN1C2=CC=CC=C2SC1=O)C#N

InChI

InChI=1S/C12H12N2OS/c1-9(8-13)6-7-14-10-4-2-3-5-11(10)16-12(14)15/h2-5,9H,6-7H2,1H3