(2E)-2-[[(4-chloranyl-1,3-benzothiazol-2-yl)amino]-oxidanyl-methylidene]-3-oxidanylidene-butanenitrile

Systemtic Name: (2E)-2-[[(4-chloranyl-1,3-benzothiazol-2-yl)amino]-oxidanyl-methylidene]-3-oxidanylidene-butanenitrile Openeye Name: (2E)-2-[[(4-chloro-1,3-benzothiazol-2-yl)amino]-hydroxy-methylene]-3-oxo-butanenitrile CAS Name: (2E)-2-[[(4-chloro-1,3-benzothiazol-2-yl)amino]-hydroxymethylidene]-3-oxobutanenitrile IUPAC Name: (2E)-2-[[(4-chloro-1,3-benzothiazol-2-yl)amino]-hydroxymethylidene]-3-oxobutanenitrile Traditional Name: (E)-2-acetyl-3-[(4-chloro-1,3-benzothiazol-2-yl)amino]-3-hydroxy-acrylonitrile Formula: C12H8ClN3O2S MolecularWeight: 293.72882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(NC1=NC2=C(S1)C=CC=C2Cl)O)C#N

Isomeric SMILES

CC(=O)/C(=C(\NC1=NC2=C(S1)C=CC=C2Cl)/O)/C#N

InChI

InChI=1S/C12H8ClN3O2S/c1-6(17)7(5-14)11(18)16-12-15-10-8(13)3-2-4-9(10)19-12/h2-4,18H,1H3,(H,15,16)/b11-7+