methyl 2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanoate

Systemtic Name: methyl 2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanoate Openeye Name: methyl 2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanoate CAS Name: 2-([1,2,4]triazolo[4,3-a]quinolin-1-ylthio)propanoic acid methyl ester IUPAC Name: methyl 2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanoate Traditional Name: 2-([1,2,4]triazolo[4,3-a]quinolin-1-ylthio)propionic acid methyl ester Formula: C14H13N3O2S MolecularWeight: 287.33692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NN=C2N1C3=CC=CC=C3C=C2

Isomeric SMILES

CC(C(=O)OC)SC1=NN=C2N1C3=CC=CC=C3C=C2

InChI

InChI=1S/C14H13N3O2S/c1-9(13(18)19-2)20-14-16-15-12-8-7-10-5-3-4-6-11(10)17(12)14/h3-9H,1-2H3