(2S)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropyl)propanamide

Systemtic Name: (2S)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropyl)propanamide Openeye Name: (2S)-N-isobutyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2S)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-methylpropyl)propanamide IUPAC Name: (2S)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropyl)propanamide Traditional Name: (2S)-N-isobutyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C16H22N4OS MolecularWeight: 318.43708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)SC1=NN=C(N1C)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)SC1=NN=C(N1C)C2=CC=CC=C2

InChI

InChI=1S/C16H22N4OS/c1-11(2)10-17-15(21)12(3)22-16-19-18-14(20(16)4)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3,(H,17,21)/t12-/m0/s1