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

Systemtic Name: 5-methylsulfanyl-2-(2,4,6-trinitrophenyl)-1,2,4-triazol-3-amine Openeye Name: 5-methylsulfanyl-2-(2,4,6-trinitrophenyl)-1,2,4-triazol-3-amine CAS Name: 5-(methylthio)-2-(2,4,6-trinitrophenyl)-1,2,4-triazol-3-amine IUPAC Name: 5-methylsulfanyl-2-(2,4,6-trinitrophenyl)-1,2,4-triazol-3-amine Traditional Name: [5-(methylthio)-2-picryl-1,2,4-triazol-3-yl]amine Formula: C9H7N7O6S MolecularWeight: 341.26018

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=N1)N)C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CSC1=NN(C(=N1)N)C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H7N7O6S/c1-23-9-11-8(10)13(12-9)7-5(15(19)20)2-4(14(17)18)3-6(7)16(21)22/h2-3H,1H3,(H2,10,11,12)