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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(3,5-dimethoxyphenyl)-4-piperonyl-1H-1,2,4-triazole-5-thione Formula: C18H17N3O4S MolecularWeight: 371.41028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NNC(=S)N2CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NNC(=S)N2CC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C18H17N3O4S/c1-22-13-6-12(7-14(8-13)23-2)17-19-20-18(26)21(17)9-11-3-4-15-16(5-11)25-10-24-15/h3-8H,9-10H2,1-2H3,(H,20,26)