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

Systemtic Name: 4-propan-2-yl-N-(2,4,6-trinitrophenyl)-1,2,3,4-thiatriazol-5-imine Openeye Name: 4-isopropyl-N-(2,4,6-trinitrophenyl)thiatriazol-5-imine CAS Name: 4-propan-2-yl-N-(2,4,6-trinitrophenyl)-5-thiatriazolimine IUPAC Name: 4-propan-2-yl-N-(2,4,6-trinitrophenyl)thiatriazol-5-imine Traditional Name: (4-isopropylthiatriazol-5-ylidene)-picryl-amine Formula: C10H9N7O6S MolecularWeight: 355.28676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])SN=N1

Isomeric SMILES

CC(C)N1C(=NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])SN=N1

InChI

InChI=1S/C10H9N7O6S/c1-5(2)14-10(24-13-12-14)11-9-7(16(20)21)3-6(15(18)19)4-8(9)17(22)23/h3-5H,1-2H3