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

Systemtic Name: 5-chloranyl-N-(6-fluoranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide Openeye Name: 5-chloro-N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide CAS Name: 5-chloro-N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide IUPAC Name: 5-chloro-N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide Traditional Name: 5-chloro-N-(6-fluoro-3-propargyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide Formula: C17H9ClFN3O3S MolecularWeight: 389.788063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H9ClFN3O3S/c1-2-7-21-14-6-4-11(19)9-15(14)26-17(21)20-16(23)12-8-10(18)3-5-13(12)22(24)25/h1,3-6,8-9H,7H2