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

Systemtic Name: N,2-bis(2,6-dinitrophenyl)-5-methylsulfanyl-1,2,4-triazol-3-amine Openeye Name: N,2-bis(2,6-dinitrophenyl)-5-methylsulfanyl-1,2,4-triazol-3-amine CAS Name: N,2-bis(2,6-dinitrophenyl)-5-(methylthio)-1,2,4-triazol-3-amine IUPAC Name: N,2-bis(2,6-dinitrophenyl)-5-methylsulfanyl-1,2,4-triazol-3-amine Traditional Name: (2,6-dinitrophenyl)-[2-(2,6-dinitrophenyl)-5-(methylthio)-1,2,4-triazol-3-yl]amine Formula: C15H10N8O8S MolecularWeight: 462.3537

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=N1)NC2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-])C3=C(C=CC=C3[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CSC1=NN(C(=N1)NC2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-])C3=C(C=CC=C3[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H10N8O8S/c1-32-15-17-14(16-12-8(20(24)25)4-2-5-9(12)21(26)27)19(18-15)13-10(22(28)29)6-3-7-11(13)23(30)31/h2-7H,1H3,(H,16,17,18)