N-[4,6-bis(fluoranyl)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-5-chloranyl-2-nitro-benzamide

Systemtic Name: N-[4,6-bis(fluoranyl)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-5-chloranyl-2-nitro-benzamide Openeye Name: 5-chloro-N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide CAS Name: 5-chloro-N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide IUPAC Name: 5-chloro-N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide Traditional Name: 5-chloro-N-(4,6-difluoro-3-propargyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide Formula: C17H8ClF2N3O3S MolecularWeight: 407.778526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H8ClF2N3O3S/c1-2-5-22-15-12(20)7-10(19)8-14(15)27-17(22)21-16(24)11-6-9(18)3-4-13(11)23(25)26/h1,3-4,6-8H,5H2