(2S)-2-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-propanamide

Systemtic Name: (2S)-2-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-propanamide Openeye Name: (2S)-2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-propanamide CAS Name: (2S)-2-[[4-amino-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]-N-tert-butylpropanamide IUPAC Name: (2S)-2-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butylpropanamide Traditional Name: (2S)-2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]-N-tert-butyl-propionamide Formula: C20H25N5OS MolecularWeight: 383.5104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)SC1=NN=C(N1N)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

C[C@@H](C(=O)NC(C)(C)C)SC1=NN=C(N1N)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C20H25N5OS/c1-13(18(26)22-20(2,3)4)27-19-24-23-17(25(19)21)12-15-10-7-9-14-8-5-6-11-16(14)15/h5-11,13H,12,21H2,1-4H3,(H,22,26)/t13-/m0/s1