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

Systemtic Name: (2S)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-propanamide Openeye Name: (2S)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(1-naphthyl)propanamide CAS Name: (2S)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(1-naphthalenyl)propanamide IUPAC Name: (2S)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylpropanamide Traditional Name: (2S)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(1-naphthyl)propionamide Formula: C21H17BrN4OS MolecularWeight: 453.35488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NNC(=N3)C4=CC=CC=C4Br

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NNC(=N3)C4=CC=CC=C4Br

InChI

InChI=1S/C21H17BrN4OS/c1-13(20(27)23-18-12-6-8-14-7-2-3-9-15(14)18)28-21-24-19(25-26-21)16-10-4-5-11-17(16)22/h2-13H,1H3,(H,23,27)(H,24,25,26)/t13-/m0/s1