2-[(2-bromophenyl)methylsulfanyl]-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(2-bromophenyl)methylsulfanyl]-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(2-bromophenyl)methylsulfanyl]-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole CAS Name: 2-[(2-bromophenyl)methylthio]-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole IUPAC Name: 2-[(2-bromophenyl)methylsulfanyl]-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(2-bromobenzyl)thio]-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole Formula: C21H23BrN2O4S MolecularWeight: 479.38732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C2=NN=C(O2)SCC3=CC=CC=C3Br

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C2=NN=C(O2)SCC3=CC=CC=C3Br

InChI

InChI=1S/C21H23BrN2O4S/c1-4-25-17-11-15(12-18(26-5-2)19(17)27-6-3)20-23-24-21(28-20)29-13-14-9-7-8-10-16(14)22/h7-12H,4-6,13H2,1-3H3