4-(1,3-benzothiazol-2-ylsulfanyl)-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-(1,3-benzothiazol-2-ylthio)-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-(1,3-benzothiazol-2-ylthio)-3-keto-butyronitrile Formula: C13H11N3OS2 MolecularWeight: 289.37594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C13H11N3OS2/c1-8(15)9(6-14)11(17)7-18-13-16-10-4-2-3-5-12(10)19-13/h2-5,9,15H,7H2,1H3