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

Systemtic Name: N-(2,4,6-trinitrophenyl)-1,3-benzothiazol-2-amine Openeye Name: N-(2,4,6-trinitrophenyl)-1,3-benzothiazol-2-amine CAS Name: N-(2,4,6-trinitrophenyl)-1,3-benzothiazol-2-amine IUPAC Name: N-(2,4,6-trinitrophenyl)-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl(picryl)amine Formula: C13H7N5O6S MolecularWeight: 361.28958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H7N5O6S/c19-16(20)7-5-9(17(21)22)12(10(6-7)18(23)24)15-13-14-8-3-1-2-4-11(8)25-13/h1-6H,(H,14,15)