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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-methyl-butanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-methyl-butanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-methylbutanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-methylbutanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-methyl-butyronitrile Formula: C12H12N2S MolecularWeight: 216.30208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#N)C1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)C(C#N)C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C12H12N2S/c1-8(2)9(7-13)12-14-10-5-3-4-6-11(10)15-12/h3-6,8-9H,1-2H3