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

Systemtic Name: 2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-5-yl-propanamide Openeye Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(5-quinolyl)propanamide CAS Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-(5-quinolinyl)propanamide IUPAC Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-5-ylpropanamide Traditional Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-(5-quinolyl)propionamide Formula: C14H14N6OS MolecularWeight: 314.36556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)SC3=NN=CN3N

Isomeric SMILES

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)SC3=NN=CN3N

InChI

InChI=1S/C14H14N6OS/c1-9(22-14-19-17-8-20(14)15)13(21)18-12-6-2-5-11-10(12)4-3-7-16-11/h2-9H,15H2,1H3,(H,18,21)