(2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-propanamide

Systemtic Name: (2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-propanamide Openeye Name: (2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-propanamide CAS Name: (2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-tert-butylpropanamide IUPAC Name: (2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butylpropanamide Traditional Name: (2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-tert-butyl-propionamide Formula: C15H19BrN4OS MolecularWeight: 383.30656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19BrN4OS/c1-9(13(21)18-15(2,3)4)22-14-17-12(19-20-14)10-7-5-6-8-11(10)16/h5-9H,1-4H3,(H,18,21)(H,17,19,20)/t9-/m1/s1