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

Systemtic Name: N-[4,6-bis(fluoranyl)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-2-nitro-benzamide Openeye Name: N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide CAS Name: N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide IUPAC Name: N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide Traditional Name: N-(4,6-difluoro-3-propargyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide Formula: C17H9F2N3O3S MolecularWeight: 373.333466

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=CC=C3[N+](=O)[O-])F)F

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=CC=C3[N+](=O)[O-])F)F

InChI

InChI=1S/C17H9F2N3O3S/c1-2-7-21-15-12(19)8-10(18)9-14(15)26-17(21)20-16(23)11-5-3-4-6-13(11)22(24)25/h1,3-6,8-9H,7H2