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

Systemtic Name: N-(4-fluoranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitro-benzamide Openeye Name: N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitro-benzamide CAS Name: N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide IUPAC Name: N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide Traditional Name: N-(4-fluoro-3-propargyl-1,3-benzothiazol-2-ylidene)-3-nitro-benzamide Formula: C17H10FN3O3S MolecularWeight: 355.343003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H10FN3O3S/c1-2-9-20-15-13(18)7-4-8-14(15)25-17(20)19-16(22)11-5-3-6-12(10-11)21(23)24/h1,3-8,10H,9H2