2-butan-2-yl-4,6-dinitro-phenol; 6-ethylsulfanyl-N2,N4-di(propan-2-yl)-1,3,5-triazine-2,4-diamine

Systemtic Name: 2-butan-2-yl-4,6-dinitro-phenol; 6-ethylsulfanyl-N2,N4-di(propan-2-yl)-1,3,5-triazine-2,4-diamine Openeye Name: 2,4-dinitro-6-sec-butyl-phenol; 6-ethylsulfanyl-N2,N4-diisopropyl-1,3,5-triazine-2,4-diamine CAS Name: 2-butan-2-yl-4,6-dinitrophenol; 6-(ethylthio)-N2,N4-di(propan-2-yl)-1,3,5-triazine-2,4-diamine IUPAC Name: 2-butan-2-yl-4,6-dinitrophenol; 6-ethylsulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine Traditional Name: 2,4-dinitro-6-sec-butyl-phenol; [4-(ethylthio)-6-(isopropylamino)-s-triazin-2-yl]-isopropyl-amine Formula: C21H33N7O5S MolecularWeight: 495.59562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-].CCSC1=NC(=NC(=N1)NC(C)C)NC(C)C

Isomeric SMILES

CCC(C)C1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-].CCSC1=NC(=NC(=N1)NC(C)C)NC(C)C

InChI

InChI=1S/C11H21N5S.C10H12N2O5/c1-6-17-11-15-9(12-7(2)3)14-10(16-11)13-8(4)5;1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h7-8H,6H2,1-5H3,(H2,12,13,14,15,16);4-6,13H,3H2,1-2H3