2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-yl-propanamide

Systemtic Name: 2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-yl-propanamide Openeye Name: 2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-quinolyl)propanamide CAS Name: 2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(5-quinolinyl)propanamide IUPAC Name: 2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-ylpropanamide Traditional Name: 2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(5-quinolyl)propionamide Formula: C21H18FN5OS MolecularWeight: 407.463923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)SC3=NN=C(N3C)C4=CC=CC=C4F

Isomeric SMILES

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)SC3=NN=C(N3C)C4=CC=CC=C4F

InChI

InChI=1S/C21H18FN5OS/c1-13(20(28)24-18-11-5-10-17-15(18)8-6-12-23-17)29-21-26-25-19(27(21)2)14-7-3-4-9-16(14)22/h3-13H,1-2H3,(H,24,28)