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

Systemtic Name: (2R)-2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)propanamide Openeye Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)propanamide CAS Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(4-bromophenyl)propanamide IUPAC Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)propanamide Traditional Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(4-bromophenyl)propionamide Formula: C11H12BrN5OS MolecularWeight: 342.21488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)SC2=NNC(=N2)N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)Br)SC2=NNC(=N2)N

InChI

InChI=1S/C11H12BrN5OS/c1-6(19-11-15-10(13)16-17-11)9(18)14-8-4-2-7(12)3-5-8/h2-6H,1H3,(H,14,18)(H3,13,15,16,17)/t6-/m1/s1