(2,4-dinitrophenyl) 5-azanyl-3-morpholin-4-yl-1,2,4-triazole-1-carbodithioate

Systemtic Name: (2,4-dinitrophenyl) 5-azanyl-3-morpholin-4-yl-1,2,4-triazole-1-carbodithioate Openeye Name: (2,4-dinitrophenyl) 5-amino-3-morpholino-1,2,4-triazole-1-carbodithioate CAS Name: 5-amino-3-(4-morpholinyl)-1,2,4-triazole-1-carbodithioic acid (2,4-dinitrophenyl) ester IUPAC Name: (2,4-dinitrophenyl) 5-amino-3-morpholin-4-yl-1,2,4-triazole-1-carbodithioate Traditional Name: 5-amino-3-morpholino-1,2,4-triazole-1-carbodithioic acid (2,4-dinitrophenyl) ester Formula: C13H13N7O5S2 MolecularWeight: 411.41622

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN(C(=N2)N)C(=S)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=NN(C(=N2)N)C(=S)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H13N7O5S2/c14-11-15-12(17-3-5-25-6-4-17)16-18(11)13(26)27-10-2-1-8(19(21)22)7-9(10)20(23)24/h1-2,7H,3-6H2,(H2,14,15,16)