5-(naphthalen-1-ylmethylsulfanylmethyl)-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(naphthalen-1-ylmethylsulfanylmethyl)-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-(1-naphthylmethylsulfanylmethyl)-4-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-thiolate CAS Name: 5-[(1-naphthalenylmethylthio)methyl]-4-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-(naphthalen-1-ylmethylsulfanylmethyl)-4-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-thiolate Traditional Name: 5-[(1-naphthylmethylthio)methyl]-4-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-thiolate Formula: C21H15F3N3OS2- MolecularWeight: 446.48851

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CSCC3=NN=C(N3C4=CC=C(C=C4)OC(F)(F)F)[S-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CSCC3=NN=C(N3C4=CC=C(C=C4)OC(F)(F)F)[S-]

InChI

InChI=1S/C21H16F3N3OS2/c22-21(23,24)28-17-10-8-16(9-11-17)27-19(25-26-20(27)29)13-30-12-15-6-3-5-14-4-1-2-7-18(14)15/h1-11H,12-13H2,(H,26,29)/p-1