1-azido-2-[(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]ethanone

Systemtic Name: 1-azido-2-[(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]ethanone Openeye Name: 2-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylene]inden-1-yl]acetyl azide CAS Name: 1-azido-2-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]-1-indenyl]ethanone IUPAC Name: 2-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetyl azide Traditional Name: 1-azido-2-[(3E)-6-fluoro-3-(4-mesylbenzylidene)-2-methyl-inden-1-yl]ethanone Formula: C20H16FN3O3S MolecularWeight: 397.422743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)F)CC(=O)N=[N+]=[N-]

Isomeric SMILES

CC\1=C(C2=C(/C1=C/C3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)F)CC(=O)N=[N+]=[N-]

InChI

InChI=1S/C20H16FN3O3S/c1-12-17(9-13-3-6-15(7-4-13)28(2,26)27)16-8-5-14(21)10-19(16)18(12)11-20(25)23-24-22/h3-10H,11H2,1-2H3/b17-9+