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

Systemtic Name: 5-methyl-2-(2-methylphenyl)sulfanyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-methyl-2-(o-tolylsulfanyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 5-methyl-2-[(2-methylphenyl)thio]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-methyl-2-(2-methylphenyl)sulfanyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-methyl-2-(o-tolylthio)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C13H12N4OS MolecularWeight: 272.32558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC2=NC3=NC(=CC(=O)N3N2)C

Isomeric SMILES

CC1=CC=CC=C1SC2=NC3=NC(=CC(=O)N3N2)C

InChI

InChI=1S/C13H12N4OS/c1-8-5-3-4-6-10(8)19-13-15-12-14-9(2)7-11(18)17(12)16-13/h3-7H,1-2H3,(H,14,15,16)