2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-3-(4-propoxyphenyl)propanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-3-(4-propoxyphenyl)propanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-oxo-3-(4-propoxyphenyl)propanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-oxo-3-(4-propoxyphenyl)propanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-oxo-3-(4-propoxyphenyl)propanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-keto-3-(4-propoxyphenyl)propionitrile Formula: C19H16N2O2S MolecularWeight: 336.40754

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)C(C#N)C2=NC3=CC=CC=C3S2

InChI

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