4-butyl-N-(2,4,6-trinitrophenyl)-1,2,3,4-thiatriazol-5-imine

Systemtic Name: 4-butyl-N-(2,4,6-trinitrophenyl)-1,2,3,4-thiatriazol-5-imine Openeye Name: 4-butyl-N-(2,4,6-trinitrophenyl)thiatriazol-5-imine CAS Name: 4-butyl-N-(2,4,6-trinitrophenyl)-5-thiatriazolimine IUPAC Name: 4-butyl-N-(2,4,6-trinitrophenyl)thiatriazol-5-imine Traditional Name: (4-butylthiatriazol-5-ylidene)-picryl-amine Formula: C11H11N7O6S MolecularWeight: 369.31334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])SN=N1

Isomeric SMILES

CCCCN1C(=NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])SN=N1

InChI

InChI=1S/C11H11N7O6S/c1-2-3-4-15-11(25-14-13-15)12-10-8(17(21)22)5-7(16(19)20)6-9(10)18(23)24/h5-6H,2-4H2,1H3