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

Systemtic Name: (2S)-2-[(4-bromophenyl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)propanamide Openeye Name: (2S)-2-[(4-bromophenyl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)propanamide CAS Name: (2S)-2-[(4-bromophenyl)methylthio]-N-(1H-1,2,4-triazol-5-yl)propanamide IUPAC Name: (2S)-2-[(4-bromophenyl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)propanamide Traditional Name: (2S)-2-[(4-bromobenzyl)thio]-N-(1H-1,2,4-triazol-5-yl)propionamide Formula: C12H13BrN4OS MolecularWeight: 341.22682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=NN1)SCC2=CC=C(C=C2)Br

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=NN1)SCC2=CC=C(C=C2)Br

InChI

InChI=1S/C12H13BrN4OS/c1-8(11(18)16-12-14-7-15-17-12)19-6-9-2-4-10(13)5-3-9/h2-5,7-8H,6H2,1H3,(H2,14,15,16,17,18)/t8-/m0/s1