3-(3-isothiocyanatophenyl)-3-(trifluoromethyl)-1,2-diazirine

Systemtic Name: 3-(3-isothiocyanatophenyl)-3-(trifluoromethyl)-1,2-diazirine Openeye Name: 3-(3-isothiocyanatophenyl)-3-(trifluoromethyl)diazirine CAS Name: 3-(3-isothiocyanatophenyl)-3-(trifluoromethyl)diazirine IUPAC Name: 3-(3-isothiocyanatophenyl)-3-(trifluoromethyl)diazirine Traditional Name: 3-(3-isothiocyanatophenyl)-3-(trifluoromethyl)diazirine Formula: C9H4F3N3S MolecularWeight: 243.20837

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H4F3N3S/c10-9(11,12)8(14-15-8)6-2-1-3-7(4-6)13-5-16/h1-4H