4-(4-ethoxyphenyl)-5-[(phenylmethylsulfanyl)methyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(4-ethoxyphenyl)-5-[(phenylmethylsulfanyl)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-(benzylsulfanylmethyl)-4-(4-ethoxyphenyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(4-ethoxyphenyl)-5-[(phenylmethylthio)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-(benzylsulfanylmethyl)-4-(4-ethoxyphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-[(benzylthio)methyl]-4-p-phenetyl-1,2,4-triazole-3-thiolate Formula: C18H18N3OS2- MolecularWeight: 356.48502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2[S-])CSCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2[S-])CSCC3=CC=CC=C3

InChI

InChI=1S/C18H19N3OS2/c1-2-22-16-10-8-15(9-11-16)21-17(19-20-18(21)23)13-24-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,20,23)/p-1