(2S)-2-(4-bromanylphenoxy)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide

Systemtic Name: (2S)-2-(4-bromanylphenoxy)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: (2S)-2-(4-bromophenoxy)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: (2S)-2-(4-bromophenoxy)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: (2S)-2-(4-bromophenoxy)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: (2S)-2-(4-bromophenoxy)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]propionamide Formula: C13H14BrN3O2S2 MolecularWeight: 388.30316

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C(C)OC2=CC=C(C=C2)Br

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)[C@H](C)OC2=CC=C(C=C2)Br

InChI

InChI=1S/C13H14BrN3O2S2/c1-3-20-13-17-16-12(21-13)15-11(18)8(2)19-10-6-4-9(14)5-7-10/h4-8H,3H2,1-2H3,(H,15,16,18)/t8-/m0/s1