(2S)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-propanamide

Systemtic Name: (2S)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-propanamide Openeye Name: (2S)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-propanamide CAS Name: (2S)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-ethylpropanamide IUPAC Name: (2S)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-ethylpropanamide Traditional Name: (2S)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-ethyl-propionamide Formula: C13H15BrN4OS MolecularWeight: 355.2534

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)SC1=NNC(=N1)C2=CC=CC=C2Br

Isomeric SMILES

CCNC(=O)[C@H](C)SC1=NNC(=N1)C2=CC=CC=C2Br

InChI

InChI=1S/C13H15BrN4OS/c1-3-15-12(19)8(2)20-13-16-11(17-18-13)9-6-4-5-7-10(9)14/h4-8H,3H2,1-2H3,(H,15,19)(H,16,17,18)/t8-/m0/s1