3-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-yl-propanamide

Systemtic Name: 3-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-yl-propanamide Openeye Name: 3-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyridyl)propanamide CAS Name: 3-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-pyridinyl)propanamide IUPAC Name: 3-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylpropanamide Traditional Name: 3-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-pyridyl)propionamide Formula: C18H19N5O2S MolecularWeight: 369.44076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC1=NN=C(N1C2=CC=CC=C2)SCCC(=O)NC3=CC=CC=N3

Isomeric SMILES

COCC1=NN=C(N1C2=CC=CC=C2)SCCC(=O)NC3=CC=CC=N3

InChI

InChI=1S/C18H19N5O2S/c1-25-13-16-21-22-18(23(16)14-7-3-2-4-8-14)26-12-10-17(24)20-15-9-5-6-11-19-15/h2-9,11H,10,12-13H2,1H3,(H,19,20,24)