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

Systemtic Name: (2S)-2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-propanamide Openeye Name: (2S)-2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-propanamide CAS Name: (2S)-2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-ethylpropanamide IUPAC Name: (2S)-2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethylpropanamide Traditional Name: (2S)-2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-ethyl-propionamide Formula: C13H16BrN5OS MolecularWeight: 370.26804

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)SC1=NN=C(N1N)C2=CC=CC=C2Br

Isomeric SMILES

CCNC(=O)[C@H](C)SC1=NN=C(N1N)C2=CC=CC=C2Br

InChI

InChI=1S/C13H16BrN5OS/c1-3-16-12(20)8(2)21-13-18-17-11(19(13)15)9-6-4-5-7-10(9)14/h4-8H,3,15H2,1-2H3,(H,16,20)/t8-/m0/s1