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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)SC2=NN=C(N2N)C(C)(C)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)Br)SC2=NN=C(N2N)C(C)(C)C

InChI

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