[4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]methanethiol

Systemtic Name: [4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]methanethiol Openeye Name: [4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanethiol CAS Name: [4-[3-(trifluoromethyl)-3-diazirinyl]phenyl]methanethiol IUPAC Name: [4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanethiol Traditional Name: [4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanethiol Formula: C9H7F3N2S MolecularWeight: 232.22549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS)C2(N=N2)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CS)C2(N=N2)C(F)(F)F

InChI

InChI=1S/C9H7F3N2S/c10-9(11,12)8(13-14-8)7-3-1-6(5-15)2-4-7/h1-4,15H,5H2