4-azanyl-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one; 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline

Systemtic Name: 4-azanyl-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one; 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline Openeye Name: 4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one; 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline CAS Name: 4-amino-6-tert-butyl-3-(methylthio)-1,2,4-triazin-5-one; 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline IUPAC Name: 4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one; 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline Traditional Name: 4-amino-6-tert-butyl-3-(methylthio)-1,2,4-triazin-5-one; [2,6-dinitro-4-(trifluoromethyl)phenyl]-dipropyl-amine Formula: C21H30F3N7O5S MolecularWeight: 549.56701

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-].CC(C)(C)C1=NN=C(N(C1=O)N)SC

Isomeric SMILES

CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-].CC(C)(C)C1=NN=C(N(C1=O)N)SC

InChI

InChI=1S/C13H16F3N3O4.C8H14N4OS/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23;1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h7-8H,3-6H2,1-2H3;9H2,1-4H3