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

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-5-propan-2-yl-1,3,4-oxadiazole Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-5-isopropyl-1,3,4-oxadiazole CAS Name: 2-[(3-bromophenyl)methylthio]-5-propan-2-yl-1,3,4-oxadiazole IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-5-propan-2-yl-1,3,4-oxadiazole Traditional Name: 2-[(3-bromobenzyl)thio]-5-isopropyl-1,3,4-oxadiazole Formula: C12H13BrN2OS MolecularWeight: 313.21342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(O1)SCC2=CC(=CC=C2)Br

Isomeric SMILES

CC(C)C1=NN=C(O1)SCC2=CC(=CC=C2)Br

InChI

InChI=1S/C12H13BrN2OS/c1-8(2)11-14-15-12(16-11)17-7-9-4-3-5-10(13)6-9/h3-6,8H,7H2,1-2H3