N-[6-fluoranyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-nitro-benzamide

Systemtic Name: N-[6-fluoranyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-nitro-benzamide Openeye Name: N-[6-fluoro-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-nitro-benzamide CAS Name: N-[6-fluoro-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-nitrobenzamide IUPAC Name: N-[6-fluoro-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-nitrobenzamide Traditional Name: N-[6-fluoro-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-nitro-benzamide Formula: C17H14FN3O3S2 MolecularWeight: 391.439763

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=C(C=C(C=C2)F)SC1=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CSCCN1C2=C(C=C(C=C2)F)SC1=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14FN3O3S2/c1-25-8-7-20-14-6-5-12(18)10-15(14)26-17(20)19-16(22)11-3-2-4-13(9-11)21(23)24/h2-6,9-10H,7-8H2,1H3