2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-4-[3-(trifluoromethyl)phenoxy]butanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-4-[3-(trifluoromethyl)phenoxy]butanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-oxo-4-[3-(trifluoromethyl)phenoxy]butanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-oxo-4-[3-(trifluoromethyl)phenoxy]butanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-oxo-4-[3-(trifluoromethyl)phenoxy]butanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-keto-4-[3-(trifluoromethyl)phenoxy]butyronitrile Formula: C18H11F3N2O2S MolecularWeight: 376.35235

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(C#N)C(=O)COC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(C#N)C(=O)COC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H11F3N2O2S/c19-18(20,21)11-4-3-5-12(8-11)25-10-15(24)13(9-22)17-23-14-6-1-2-7-16(14)26-17/h1-8,13H,10H2