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

Systemtic Name: 5-propyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-propyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thiolate CAS Name: 5-propyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-propyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thiolate Traditional Name: 5-propyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thiolate Formula: C12H11F3N3S- MolecularWeight: 286.29605

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C2=CC=C(C=C2)C(F)(F)F)[S-]

Isomeric SMILES

CCCC1=NN=C(N1C2=CC=C(C=C2)C(F)(F)F)[S-]

InChI

InChI=1S/C12H12F3N3S/c1-2-3-10-16-17-11(19)18(10)9-6-4-8(5-7-9)12(13,14)15/h4-7H,2-3H2,1H3,(H,17,19)/p-1