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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NNC(=N1)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CSC1=NNC(=N1)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

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