2,5-dimethyl-6-sulfanyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 2,5-dimethyl-6-sulfanyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 2,5-dimethyl-6-sulfanyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 6-mercapto-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 2,5-dimethyl-6-sulfanyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 6-mercapto-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C7H8N4OS MolecularWeight: 196.22962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N2C(=N1)N=C(N2)C)S

Isomeric SMILES

CC1=C(C(=O)N2C(=N1)N=C(N2)C)S

InChI

InChI=1S/C7H8N4OS/c1-3-5(13)6(12)11-7(8-3)9-4(2)10-11/h13H,1-2H3,(H,8,9,10)