2-(3,5-dinitropyridin-2-yl)sulfanyl-1H-benzimidazole

Systemtic Name: 2-(3,5-dinitropyridin-2-yl)sulfanyl-1H-benzimidazole Openeye Name: 2-[(3,5-dinitro-2-pyridyl)sulfanyl]-1H-benzimidazole CAS Name: 2-[(3,5-dinitro-2-pyridinyl)thio]-1H-benzimidazole IUPAC Name: 2-(3,5-dinitropyridin-2-yl)sulfanyl-1H-benzimidazole Traditional Name: 2-[(3,5-dinitro-2-pyridyl)thio]-1H-benzimidazole Formula: C12H7N5O4S MolecularWeight: 317.28008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SC3=C(C=C(C=N3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SC3=C(C=C(C=N3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H7N5O4S/c18-16(19)7-5-10(17(20)21)11(13-6-7)22-12-14-8-3-1-2-4-9(8)15-12/h1-6H,(H,14,15)