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

Systemtic Name: 4-(2,4-dimethoxyphenyl)-5-[(phenylmethylsulfanyl)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-(benzylsulfanylmethyl)-4-(2,4-dimethoxyphenyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(2,4-dimethoxyphenyl)-5-[(phenylmethylthio)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-(benzylsulfanylmethyl)-4-(2,4-dimethoxyphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-[(benzylthio)methyl]-4-(2,4-dimethoxyphenyl)-1,2,4-triazole-3-thiolate Formula: C18H18N3O2S2- MolecularWeight: 372.48442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C(=NN=C2[S-])CSCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2C(=NN=C2[S-])CSCC3=CC=CC=C3)OC

InChI

InChI=1S/C18H19N3O2S2/c1-22-14-8-9-15(16(10-14)23-2)21-17(19-20-18(21)24)12-25-11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,20,24)/p-1