4-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-piperonyl-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H19N3O5S/c1-23-15-7-12(8-16(24-2)17(15)25-3)18-20-21-19(28)22(18)9-11-4-5-13-14(6-11)27-10-26-13/h4-8H,9-10H2,1-3H3,(H,21,28)