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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-ethyl-5-[(4-phenylmethoxyphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-benzyloxyphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-yl)-4-ethyl-5-[(4-phenylmethoxyphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-ethyl-5-[(4-phenylmethoxyphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-benzoxybenzyl)thio]-4-ethyl-1,2,4-triazole Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H23N3O3S/c1-2-28-24(20-10-13-22-23(14-20)31-17-30-22)26-27-25(28)32-16-19-8-11-21(12-9-19)29-15-18-6-4-3-5-7-18/h3-14H,2,15-17H2,1H3