3-(1,3-benzodioxol-5-yl)-5-[(3,5-dimethoxyphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-[(3,5-dimethoxyphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-[(3,5-dimethoxyphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-yl)-5-[(3,5-dimethoxyphenyl)methylthio]-4-ethyl-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-[(3,5-dimethoxyphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-[(3,5-dimethoxybenzyl)thio]-4-ethyl-1,2,4-triazole Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=CC(=C2)OC)OC)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=CC(=C2)OC)OC)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21N3O4S/c1-4-23-19(14-5-6-17-18(9-14)27-12-26-17)21-22-20(23)28-11-13-7-15(24-2)10-16(8-13)25-3/h5-10H,4,11-12H2,1-3H3