2-(3-bromanylphenoxy)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)ethanamide

Systemtic Name: 2-(3-bromanylphenoxy)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)ethanamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(3-bromophenoxy)acetamide CAS Name: 2-(3-bromophenoxy)-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: 2-(3-bromophenoxy)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-2-(3-bromophenoxy)acetamide Formula: C13H12BrN3O2S2 MolecularWeight: 386.28728

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(S1)NC(=O)COC2=CC(=CC=C2)Br

Isomeric SMILES

C=CCSC1=NN=C(S1)NC(=O)COC2=CC(=CC=C2)Br

InChI

InChI=1S/C13H12BrN3O2S2/c1-2-6-20-13-17-16-12(21-13)15-11(18)8-19-10-5-3-4-9(14)7-10/h2-5,7H,1,6,8H2,(H,15,16,18)