5-methyl-6-nitro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-7-thione

Systemtic Name: 5-methyl-6-nitro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-7-thione Openeye Name: 5-methyl-6-nitro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-7-thione CAS Name: 5-methyl-6-nitro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-7-thione IUPAC Name: 5-methyl-6-nitro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-7-thione Traditional Name: 5-methyl-6-nitro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-7-thione Formula: C6H5N5O2S MolecularWeight: 211.2012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=S)N2C(=N1)N=CN2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=S)N2C(=N1)N=CN2)[N+](=O)[O-]

InChI

InChI=1S/C6H5N5O2S/c1-3-4(11(12)13)5(14)10-6(9-3)7-2-8-10/h2H,1H3,(H,7,8,9)