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

Systemtic Name: 4-(2,4,6-trinitrophenyl)sulfanyl-1,2,3-benzotriazine Openeye Name: 4-(2,4,6-trinitrophenyl)sulfanyl-1,2,3-benzotriazine CAS Name: 4-[(2,4,6-trinitrophenyl)thio]-1,2,3-benzotriazine IUPAC Name: 4-(2,4,6-trinitrophenyl)sulfanyl-1,2,3-benzotriazine Traditional Name: 4-(picrylthio)-1,2,3-benzotriazine Formula: C13H6N6O6S MolecularWeight: 374.28834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=N2)SC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=N2)SC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H6N6O6S/c20-17(21)7-5-10(18(22)23)12(11(6-7)19(24)25)26-13-8-3-1-2-4-9(8)14-16-15-13/h1-6H