5-methyl-2-(sulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 5-methyl-2-(sulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-methyl-2-(sulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 2-(mercaptomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-methyl-2-(sulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 2-(mercaptomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C7H8N4OS MolecularWeight: 196.22962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N2C(=N1)N=C(N2)CS

Isomeric SMILES

CC1=CC(=O)N2C(=N1)N=C(N2)CS

InChI

InChI=1S/C7H8N4OS/c1-4-2-6(12)11-7(8-4)9-5(3-13)10-11/h2,13H,3H2,1H3,(H,8,9,10)