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

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

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=C(C=CC=C3F)F

InChI

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