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

Systemtic Name: 4-(2,4-dimethoxyphenyl)-3-[(phenylmethylsulfanyl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(benzylsulfanylmethyl)-4-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(2,4-dimethoxyphenyl)-3-[(phenylmethylthio)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(benzylsulfanylmethyl)-4-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(benzylthio)methyl]-4-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C18H19N3O2S2 MolecularWeight: 373.49236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C(=NNC2=S)CSCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2C(=NNC2=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)