2-[(3,5-dinitrophenyl)methylsulfanyl]-1H-benzimidazole

Systemtic Name: 2-[(3,5-dinitrophenyl)methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[(3,5-dinitrophenyl)methylsulfanyl]-1H-benzimidazole CAS Name: 2-[(3,5-dinitrophenyl)methylthio]-1H-benzimidazole IUPAC Name: 2-[(3,5-dinitrophenyl)methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[(3,5-dinitrobenzyl)thio]-1H-benzimidazole Formula: C14H10N4O4S MolecularWeight: 330.3186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H10N4O4S/c19-17(20)10-5-9(6-11(7-10)18(21)22)8-23-14-15-12-3-1-2-4-13(12)16-14/h1-7H,8H2,(H,15,16)