2-(2,4,6-trinitrophenyl)sulfanyl-1H-benzimidazole

Systemtic Name: 2-(2,4,6-trinitrophenyl)sulfanyl-1H-benzimidazole Openeye Name: 2-(2,4,6-trinitrophenyl)sulfanyl-1H-benzimidazole CAS Name: 2-[(2,4,6-trinitrophenyl)thio]-1H-benzimidazole IUPAC Name: 2-(2,4,6-trinitrophenyl)sulfanyl-1H-benzimidazole Traditional Name: 2-(picrylthio)-1H-benzimidazole Formula: C13H7N5O6S MolecularWeight: 361.28958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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