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

Systemtic Name: 4-(phenylmethyl)-N-(2,4,6-trinitrophenyl)-1,2,3,4-thiatriazol-5-imine Openeye Name: 4-benzyl-N-(2,4,6-trinitrophenyl)thiatriazol-5-imine CAS Name: 4-(phenylmethyl)-N-(2,4,6-trinitrophenyl)-5-thiatriazolimine IUPAC Name: 4-benzyl-N-(2,4,6-trinitrophenyl)thiatriazol-5-imine Traditional Name: (4-benzylthiatriazol-5-ylidene)-picryl-amine Formula: C14H9N7O6S MolecularWeight: 403.32956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])SN=N2

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])SN=N2

InChI

InChI=1S/C14H9N7O6S/c22-19(23)10-6-11(20(24)25)13(12(7-10)21(26)27)15-14-18(16-17-28-14)8-9-4-2-1-3-5-9/h1-7H,8H2