S-[[4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]-tritio-methyl] ethanethioate

Systemtic Name: S-[[4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]-tritio-methyl] ethanethioate Openeye Name: S-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]-tritio-methyl] ethanethioate CAS Name: ethanethioic acid S-[[4-[3-(trifluoromethyl)-3-diazirinyl]phenyl]-tritiomethyl] ester IUPAC Name: S-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]-tritiomethyl] ethanethioate Traditional Name: ethanethioic acid S-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]-tritio-methyl] ester Formula: C11H9F3N2OS MolecularWeight: 276.270279

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=CC=C(C=C1)C2(N=N2)C(F)(F)F

Isomeric SMILES

[3H]C(C1=CC=C(C=C1)C2(N=N2)C(F)(F)F)SC(=O)C

InChI

InChI=1S/C11H9F3N2OS/c1-7(17)18-6-8-2-4-9(5-3-8)10(15-16-10)11(12,13)14/h2-5H,6H2,1H3/i6T