4,5-dimethyl-2-methylsulfanyl-6-nitro-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 4,5-dimethyl-2-methylsulfanyl-6-nitro-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 4,5-dimethyl-2-methylsulfanyl-6-nitro-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 4,5-dimethyl-2-(methylthio)-6-nitro-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 4,5-dimethyl-2-methylsulfanyl-6-nitro-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 4,5-dimethyl-2-(methylthio)-6-nitro-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C8H9N5O3S MolecularWeight: 255.25376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N2C(=NC(=N2)SC)N1C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N2C(=NC(=N2)SC)N1C)[N+](=O)[O-]

InChI

InChI=1S/C8H9N5O3S/c1-4-5(13(15)16)6(14)12-8(11(4)2)9-7(10-12)17-3/h1-3H3