N-[4,6-bis(fluoranyl)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-4-phenoxy-benzamide

Systemtic Name: N-[4,6-bis(fluoranyl)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-4-phenoxy-benzamide Openeye Name: N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-phenoxy-benzamide CAS Name: N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide IUPAC Name: N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide Traditional Name: N-(4,6-difluoro-3-propargyl-1,3-benzothiazol-2-ylidene)-4-phenoxy-benzamide Formula: C23H14F2N2O2S MolecularWeight: 420.431266

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)F)F

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)F)F

InChI

InChI=1S/C23H14F2N2O2S/c1-2-12-27-21-19(25)13-16(24)14-20(21)30-23(27)26-22(28)15-8-10-18(11-9-15)29-17-6-4-3-5-7-17/h1,3-11,13-14H,12H2