5-(3,5-dinitrophenyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(3,5-dinitrophenyl)-1,2,4-triazole-3-thione Openeye Name: 5-(3,5-dinitrophenyl)-1,2,4-triazole-3-thione CAS Name: 5-(3,5-dinitrophenyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(3,5-dinitrophenyl)-1,2,4-triazole-3-thione Traditional Name: 5-(3,5-dinitrophenyl)-1,2,4-triazole-3-thione Formula: C8H3N5O4S MolecularWeight: 265.20552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C2=NC(=S)N=N2

Isomeric SMILES

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C2=NC(=S)N=N2

InChI

InChI=1S/C8H3N5O4S/c14-12(15)5-1-4(2-6(3-5)13(16)17)7-9-8(18)11-10-7/h1-3H