2-(2,4,6-trinitrophenyl)sulfanyl-1,3-benzothiazole

Systemtic Name: 2-(2,4,6-trinitrophenyl)sulfanyl-1,3-benzothiazole Openeye Name: 2-(2,4,6-trinitrophenyl)sulfanyl-1,3-benzothiazole CAS Name: 2-[(2,4,6-trinitrophenyl)thio]-1,3-benzothiazole IUPAC Name: 2-(2,4,6-trinitrophenyl)sulfanyl-1,3-benzothiazole Traditional Name: 2-(picrylthio)-1,3-benzothiazole Formula: C13H6N4O6S2 MolecularWeight: 378.33994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H6N4O6S2/c18-15(19)7-5-9(16(20)21)12(10(6-7)17(22)23)25-13-14-8-3-1-2-4-11(8)24-13/h1-6H