1-thiophen-2-yl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)butan-1-one

Systemtic Name: 1-thiophen-2-yl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)butan-1-one Openeye Name: 1-(2-thienyl)-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)butan-1-one CAS Name: 1-thiophen-2-yl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)-1-butanone IUPAC Name: 1-thiophen-2-yl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)butan-1-one Traditional Name: 1-(2-thienyl)-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)butan-1-one Formula: C13H12N4OS2 MolecularWeight: 304.39058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN2C(=NC(=N2)SCCCC(=O)C3=CC=CS3)N=C1

Isomeric SMILES

C1=CN2C(=NC(=N2)SCCCC(=O)C3=CC=CS3)N=C1

InChI

InChI=1S/C13H12N4OS2/c18-10(11-5-2-8-19-11)4-1-9-20-13-15-12-14-6-3-7-17(12)16-13/h2-3,5-8H,1,4,9H2