2-(1,3-benzothiazol-2-yl)-4-(4-ethylphenoxy)-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-(4-ethylphenoxy)-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-(4-ethylphenoxy)-3-oxo-butanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-4-(4-ethylphenoxy)-3-oxobutanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-(4-ethylphenoxy)-3-oxobutanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-(4-ethylphenoxy)-3-keto-butyronitrile Formula: C19H16N2O2S MolecularWeight: 336.40754

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)C(C#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H16N2O2S/c1-2-13-7-9-14(10-8-13)23-12-17(22)15(11-20)19-21-16-5-3-4-6-18(16)24-19/h3-10,15H,2,12H2,1H3