3-methyl-4-oxidanylidene-4-(2-oxidanylidene-3H-1,3-benzothiazol-5-yl)butanenitrile

Systemtic Name: 3-methyl-4-oxidanylidene-4-(2-oxidanylidene-3H-1,3-benzothiazol-5-yl)butanenitrile Openeye Name: 3-methyl-4-oxo-4-(2-oxo-3H-1,3-benzothiazol-5-yl)butanenitrile CAS Name: 3-methyl-4-oxo-4-(2-oxo-3H-1,3-benzothiazol-5-yl)butanenitrile IUPAC Name: 3-methyl-4-oxo-4-(2-oxo-3H-1,3-benzothiazol-5-yl)butanenitrile Traditional Name: 4-keto-4-(2-keto-3H-1,3-benzothiazol-5-yl)-3-methyl-butyronitrile Formula: C12H10N2O2S MolecularWeight: 246.285

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC#N)C(=O)C1=CC2=C(C=C1)SC(=O)N2

Isomeric SMILES

CC(CC#N)C(=O)C1=CC2=C(C=C1)SC(=O)N2

InChI

InChI=1S/C12H10N2O2S/c1-7(4-5-13)11(15)8-2-3-10-9(6-8)14-12(16)17-10/h2-3,6-7H,4H2,1H3,(H,14,16)