(3-methylsulfanylphenyl) 2,2,2-tris(fluoranyl)ethanoate; urea

Systemtic Name: (3-methylsulfanylphenyl) 2,2,2-tris(fluoranyl)ethanoate; urea Openeye Name: (3-methylsulfanylphenyl) 2,2,2-trifluoroacetate; urea CAS Name: 2,2,2-trifluoroacetic acid [3-(methylthio)phenyl] ester; urea IUPAC Name: (3-methylsulfanylphenyl) 2,2,2-trifluoroacetate; urea Traditional Name: 2,2,2-trifluoroacetic acid [3-(methylthio)phenyl] ester; urea Formula: C10H11F3N2O3S MolecularWeight: 296.26615

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)OC(=O)C(F)(F)F.C(=O)(N)N

Isomeric SMILES

CSC1=CC=CC(=C1)OC(=O)C(F)(F)F.C(=O)(N)N

InChI

InChI=1S/C9H7F3O2S.CH4N2O/c1-15-7-4-2-3-6(5-7)14-8(13)9(10,11)12;2-1(3)4/h2-5H,1H3;(H4,2,3,4)