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

Systemtic Name: (2R)-2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-propanamide Openeye Name: (2R)-2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-propanamide CAS Name: (2R)-2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-tert-butylpropanamide IUPAC Name: (2R)-2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butylpropanamide Traditional Name: (2R)-2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-tert-butyl-propionamide Formula: C15H20BrN5OS MolecularWeight: 398.3212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20BrN5OS/c1-9(13(22)18-15(2,3)4)23-14-20-19-12(21(14)17)10-7-5-6-8-11(10)16/h5-9H,17H2,1-4H3,(H,18,22)/t9-/m1/s1