2-pyridin-3-yl-5-(2,4,6-trinitrophenyl)sulfanyl-1,3,4-oxadiazole

Systemtic Name: 2-pyridin-3-yl-5-(2,4,6-trinitrophenyl)sulfanyl-1,3,4-oxadiazole Openeye Name: 2-(3-pyridyl)-5-(2,4,6-trinitrophenyl)sulfanyl-1,3,4-oxadiazole CAS Name: 2-(3-pyridinyl)-5-[(2,4,6-trinitrophenyl)thio]-1,3,4-oxadiazole IUPAC Name: 2-pyridin-3-yl-5-(2,4,6-trinitrophenyl)sulfanyl-1,3,4-oxadiazole Traditional Name: 2-(picrylthio)-5-(3-pyridyl)-1,3,4-oxadiazole Formula: C13H6N6O7S MolecularWeight: 390.28774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NN=C(O2)SC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)C2=NN=C(O2)SC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H6N6O7S/c20-17(21)8-4-9(18(22)23)11(10(5-8)19(24)25)27-13-16-15-12(26-13)7-2-1-3-14-6-7/h1-6H