3-methyl-N-(2,4,6-trinitrophenyl)-1,3-benzothiazol-2-imine

Systemtic Name: 3-methyl-N-(2,4,6-trinitrophenyl)-1,3-benzothiazol-2-imine Openeye Name: 3-methyl-N-(2,4,6-trinitrophenyl)-1,3-benzothiazol-2-imine CAS Name: 3-methyl-N-(2,4,6-trinitrophenyl)-1,3-benzothiazol-2-imine IUPAC Name: 3-methyl-N-(2,4,6-trinitrophenyl)-1,3-benzothiazol-2-imine Traditional Name: (3-methyl-1,3-benzothiazol-2-ylidene)-picryl-amine Formula: C14H9N5O6S MolecularWeight: 375.31616

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2SC1=NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H9N5O6S/c1-16-9-4-2-3-5-12(9)26-14(16)15-13-10(18(22)23)6-8(17(20)21)7-11(13)19(24)25/h2-7H,1H3