4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,5-dimethoxyphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,5-dimethoxyphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,5-dimethoxyphenyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,5-dimethoxyphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,5-dimethoxyphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,5-dimethoxyphenyl)-1,2,4-triazole-3-thiolate Formula: C18H16N3O4S- MolecularWeight: 370.40234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NN=C(N2C3=CC4=C(C=C3)OCCO4)[S-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NN=C(N2C3=CC4=C(C=C3)OCCO4)[S-])OC

InChI

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