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

Systemtic Name: (2S)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide Openeye Name: (2S)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide CAS Name: (2S)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-propylpropanamide IUPAC Name: (2S)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-propylpropanamide Traditional Name: (2S)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-propyl-propionamide Formula: C14H17BrN4OS MolecularWeight: 369.27998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrN4OS/c1-3-8-16-13(20)9(2)21-14-17-12(18-19-14)10-6-4-5-7-11(10)15/h4-7,9H,3,8H2,1-2H3,(H,16,20)(H,17,18,19)/t9-/m0/s1