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

Systemtic Name: 5-chloranyl-N-(4-fluoranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide Openeye Name: 5-chloro-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide CAS Name: 5-chloro-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide IUPAC Name: 5-chloro-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide Traditional Name: 5-chloro-N-(4-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=CC=C2SC1=NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])F

Isomeric SMILES

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

InChI

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