4-(4-methoxyphenyl)-5-(naphthalen-1-ylmethylsulfanylmethyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(4-methoxyphenyl)-5-(naphthalen-1-ylmethylsulfanylmethyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-methoxyphenyl)-5-(1-naphthylmethylsulfanylmethyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(4-methoxyphenyl)-5-[(1-naphthalenylmethylthio)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-methoxyphenyl)-5-(naphthalen-1-ylmethylsulfanylmethyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-methoxyphenyl)-5-[(1-naphthylmethylthio)methyl]-1,2,4-triazole-3-thiolate Formula: C21H18N3OS2- MolecularWeight: 392.51712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2[S-])CSCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2[S-])CSCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H19N3OS2/c1-25-18-11-9-17(10-12-18)24-20(22-23-21(24)26)14-27-13-16-7-4-6-15-5-2-3-8-19(15)16/h2-12H,13-14H2,1H3,(H,23,26)/p-1