(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-chloranyl-3-oxidanylidene-pentanenitrile

Systemtic Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-chloranyl-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-chloro-3-oxo-pentanenitrile CAS Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-chloro-3-oxopentanenitrile IUPAC Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-chloro-3-oxopentanenitrile Traditional Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-chloro-3-keto-valeronitrile Formula: C12H9ClN2OS MolecularWeight: 264.73066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=C1NC2=CC=CC=C2S1)C#N)Cl

Isomeric SMILES

CC(C(=O)/C(=C/1\NC2=CC=CC=C2S1)/C#N)Cl

InChI

InChI=1S/C12H9ClN2OS/c1-7(13)11(16)8(6-14)12-15-9-4-2-3-5-10(9)17-12/h2-5,7,15H,1H3/b12-8+