4-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[(5-chloro-1,3-benzothiazol-2-yl)thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[(5-chloro-1,3-benzothiazol-2-yl)thio]-3-keto-butyronitrile Formula: C13H10ClN3OS2 MolecularWeight: 323.821

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC2=C(S1)C=CC(=C2)Cl

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NC2=C(S1)C=CC(=C2)Cl

InChI

InChI=1S/C13H10ClN3OS2/c1-7(16)9(5-15)11(18)6-19-13-17-10-4-8(14)2-3-12(10)20-13/h2-4,9,16H,6H2,1H3