1-(2,6-dinitrophenyl)-5-methylsulfanyl-1,2,4-triazol-3-amine

Systemtic Name: 1-(2,6-dinitrophenyl)-5-methylsulfanyl-1,2,4-triazol-3-amine Openeye Name: 1-(2,6-dinitrophenyl)-5-methylsulfanyl-1,2,4-triazol-3-amine CAS Name: 1-(2,6-dinitrophenyl)-5-(methylthio)-1,2,4-triazol-3-amine IUPAC Name: 1-(2,6-dinitrophenyl)-5-methylsulfanyl-1,2,4-triazol-3-amine Traditional Name: [1-(2,6-dinitrophenyl)-5-(methylthio)-1,2,4-triazol-3-yl]amine Formula: C9H8N6O4S MolecularWeight: 296.26262

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NN1C2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-])N

Isomeric SMILES

CSC1=NC(=NN1C2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-])N

InChI

InChI=1S/C9H8N6O4S/c1-20-9-11-8(10)12-13(9)7-5(14(16)17)3-2-4-6(7)15(18)19/h2-4H,1H3,(H2,10,12)