5-(4-methyl-3-nitro-phenyl)-1,2-dihydro-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-methyl-3-nitro-phenyl)-1,2-dihydro-1,2,4-triazole-3-thione Openeye Name: 5-(4-methyl-3-nitro-phenyl)-1,2-dihydro-1,2,4-triazole-3-thione CAS Name: 5-(4-methyl-3-nitrophenyl)-1,2-dihydro-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methyl-3-nitrophenyl)-1,2-dihydro-1,2,4-triazole-3-thione Traditional Name: 5-(4-methyl-3-nitro-phenyl)-1,2-dihydro-1,2,4-triazole-3-thione Formula: C9H8N4O2S MolecularWeight: 236.25042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC(=S)NN2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC(=S)NN2)[N+](=O)[O-]

InChI

InChI=1S/C9H8N4O2S/c1-5-2-3-6(4-7(5)13(14)15)8-10-9(16)12-11-8/h2-4H,1H3,(H2,10,11,12,16)