2-[(4-bromophenyl)sulfanylmethyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(4-bromophenyl)sulfanylmethyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(4-bromophenyl)sulfanylmethyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole CAS Name: 2-[[(4-bromophenyl)thio]methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole IUPAC Name: 2-[(4-bromophenyl)sulfanylmethyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Traditional Name: 2-[[(4-bromophenyl)thio]methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Formula: C18H17BrN2O4S MolecularWeight: 437.30758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)CSC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H17BrN2O4S/c1-22-14-8-11(9-15(23-2)17(14)24-3)18-21-20-16(25-18)10-26-13-6-4-12(19)5-7-13/h4-9H,10H2,1-3H3