2,2,2-tris(fluoranyl)-1-[3-(phenylsulfanylmethyl)azulen-1-yl]ethanone

Systemtic Name: 2,2,2-tris(fluoranyl)-1-[3-(phenylsulfanylmethyl)azulen-1-yl]ethanone Openeye Name: 2,2,2-trifluoro-1-[3-(phenylsulfanylmethyl)azulen-1-yl]ethanone CAS Name: 2,2,2-trifluoro-1-[3-[(phenylthio)methyl]-1-azulenyl]ethanone IUPAC Name: 2,2,2-trifluoro-1-[3-(phenylsulfanylmethyl)azulen-1-yl]ethanone Traditional Name: 2,2,2-trifluoro-1-[3-[(phenylthio)methyl]azulen-1-yl]ethanone Formula: C19H13F3OS MolecularWeight: 346.36613

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC2=C3C=CC=CC=C3C(=C2)C(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)SCC2=C3C=CC=CC=C3C(=C2)C(=O)C(F)(F)F

InChI

InChI=1S/C19H13F3OS/c20-19(21,22)18(23)17-11-13(12-24-14-7-3-1-4-8-14)15-9-5-2-6-10-16(15)17/h1-11H,12H2