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

Systemtic Name: N-[4,6-bis(fluoranyl)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-2-chloranyl-5-nitro-benzamide Openeye Name: 2-chloro-N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-benzamide CAS Name: 2-chloro-N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitrobenzamide IUPAC Name: 2-chloro-N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitrobenzamide Traditional Name: 2-chloro-N-(4,6-difluoro-3-propargyl-1,3-benzothiazol-2-ylidene)-5-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)[N+](=O)[O-])Cl)F)F

Isomeric SMILES

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

InChI

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