4-(3-methyl-2-oxidanylidene-1,3-benzothiazol-6-yl)butanenitrile

Systemtic Name: 4-(3-methyl-2-oxidanylidene-1,3-benzothiazol-6-yl)butanenitrile Openeye Name: 4-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)butanenitrile CAS Name: 4-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)butanenitrile IUPAC Name: 4-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)butanenitrile Traditional Name: 4-(2-keto-3-methyl-1,3-benzothiazol-6-yl)butyronitrile Formula: C12H12N2OS MolecularWeight: 232.30148

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)CCCC#N)SC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)CCCC#N)SC1=O

InChI

InChI=1S/C12H12N2OS/c1-14-10-6-5-9(4-2-3-7-13)8-11(10)16-12(14)15/h5-6,8H,2-4H2,1H3