5-[(6-bromanylnaphthalen-2-yl)oxymethyl]-4-(2,5-dimethylphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(6-bromanylnaphthalen-2-yl)oxymethyl]-4-(2,5-dimethylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-[(6-bromo-2-naphthyl)oxymethyl]-4-(2,5-dimethylphenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-[(6-bromo-2-naphthalenyl)oxymethyl]-4-(2,5-dimethylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(6-bromonaphthalen-2-yl)oxymethyl]-4-(2,5-dimethylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-[(6-bromo-2-naphthoxy)methyl]-4-(2,5-dimethylphenyl)-1,2,4-triazole-3-thiolate Formula: C21H17BrN3OS- MolecularWeight: 439.34818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=NN=C2[S-])COC3=CC4=C(C=C3)C=C(C=C4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=NN=C2[S-])COC3=CC4=C(C=C3)C=C(C=C4)Br

InChI

InChI=1S/C21H18BrN3OS/c1-13-3-4-14(2)19(9-13)25-20(23-24-21(25)27)12-26-18-8-6-15-10-17(22)7-5-16(15)11-18/h3-11H,12H2,1-2H3,(H,24,27)/p-1