(2Z)-2-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-3-oxidanylidene-3-phenyl-propanenitrile

Systemtic Name: (2Z)-2-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-3-oxidanylidene-3-phenyl-propanenitrile Openeye Name: (2Z)-2-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-3-oxo-3-phenyl-propanenitrile CAS Name: (2Z)-2-(1-methyl-2-benzo[e][1,3]benzothiazolylidene)-3-oxo-3-phenylpropanenitrile IUPAC Name: (2Z)-2-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-3-oxo-3-phenylpropanenitrile Traditional Name: (2Z)-3-keto-2-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-3-phenyl-propionitrile Formula: C21H14N2OS MolecularWeight: 342.41366

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC3=CC=CC=C32)SC1=C(C#N)C(=O)C4=CC=CC=C4

Isomeric SMILES

CN\1C2=C(C=CC3=CC=CC=C32)S/C1=C(/C#N)\C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H14N2OS/c1-23-19-16-10-6-5-7-14(16)11-12-18(19)25-21(23)17(13-22)20(24)15-8-3-2-4-9-15/h2-12H,1H3/b21-17-