2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-heptan-2-yl]ethanamide

Systemtic Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-heptan-2-yl]ethanamide Openeye Name: 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-methylhexyl]acetamide CAS Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-[(2S)-heptan-2-yl]acetamide IUPAC Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-heptan-2-yl]acetamide Traditional Name: 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[(1S)-1-methylhexyl]acetamide Formula: C18H27N5OS MolecularWeight: 361.50488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CSC1=NN=C(N1CC)C2=CC=NC=C2

Isomeric SMILES

CCCCC[C@H](C)NC(=O)CSC1=NN=C(N1CC)C2=CC=NC=C2

InChI

InChI=1S/C18H27N5OS/c1-4-6-7-8-14(3)20-16(24)13-25-18-22-21-17(23(18)5-2)15-9-11-19-12-10-15/h9-12,14H,4-8,13H2,1-3H3,(H,20,24)/t14-/m0/s1