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

Systemtic Name: 5-(naphthalen-1-ylmethylsulfanylmethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-(1-naphthylmethylsulfanylmethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thiolate CAS Name: 5-[(1-naphthalenylmethylthio)methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-(naphthalen-1-ylmethylsulfanylmethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thiolate Traditional Name: 5-[(1-naphthylmethylthio)methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thiolate Formula: C21H15F3N3S2- MolecularWeight: 430.48911

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16F3N3S2/c22-21(23,24)16-8-4-9-17(11-16)27-19(25-26-20(27)28)13-29-12-15-7-3-6-14-5-1-2-10-18(14)15/h1-11H,12-13H2,(H,26,28)/p-1