5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole

Systemtic Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole Openeye Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole CAS Name: 5-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole IUPAC Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole Traditional Name: 5-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NOC(=N2)CSC3=CC4=C(C=C3)OCCCO4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NOC(=N2)CSC3=CC4=C(C=C3)OCCCO4)OC

InChI

InChI=1S/C20H20N2O5S/c1-23-13-4-6-15(17(10-13)24-2)20-21-19(27-22-20)12-28-14-5-7-16-18(11-14)26-9-3-8-25-16/h4-7,10-11H,3,8-9,12H2,1-2H3