4-azanyl-5-(3-methyl-4-nitro-phenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-azanyl-5-(3-methyl-4-nitro-phenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-amino-5-(3-methyl-4-nitro-phenyl)-1,2,4-triazole-3-thiolate CAS Name: 4-amino-5-(3-methyl-4-nitrophenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-amino-5-(3-methyl-4-nitrophenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-amino-5-(3-methyl-4-nitro-phenyl)-1,2,4-triazole-3-thiolate Formula: C9H8N5O2S- MolecularWeight: 250.25712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN=C(N2N)[S-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN=C(N2N)[S-])[N+](=O)[O-]

InChI

InChI=1S/C9H9N5O2S/c1-5-4-6(2-3-7(5)14(15)16)8-11-12-9(17)13(8)10/h2-4H,10H2,1H3,(H,12,17)/p-1