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

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NNC(=S)N2C3=CC4=C(C=C3)OCCO4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NNC(=S)N2C3=CC4=C(C=C3)OCCO4)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)