(3-bromophenyl)methyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate

Systemtic Name: (3-bromophenyl)methyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Openeye Name: (3-bromophenyl)methyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate CAS Name: 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid (3-bromophenyl)methyl ester IUPAC Name: (3-bromophenyl)methyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid (3-bromobenzyl) ester Formula: C18H15BrN2O3S MolecularWeight: 419.2923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)CSC2=CC=CC=C2C(=O)OCC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=NOC(=N1)CSC2=CC=CC=C2C(=O)OCC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H15BrN2O3S/c1-12-20-17(24-21-12)11-25-16-8-3-2-7-15(16)18(22)23-10-13-5-4-6-14(19)9-13/h2-9H,10-11H2,1H3