4-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thiolate CAS Name: 4-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thiolate Formula: C9H5F3N3S- MolecularWeight: 244.21631

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(F)(F)F)N2C=NN=C2[S-]

Isomeric SMILES

C1=CC=C(C(=C1)C(F)(F)F)N2C=NN=C2[S-]

InChI

InChI=1S/C9H6F3N3S/c10-9(11,12)6-3-1-2-4-7(6)15-5-13-14-8(15)16/h1-5H,(H,14,16)/p-1