2-(3,5-dinitrophenyl)sulfanyl-1H-benzimidazole

Systemtic Name: 2-(3,5-dinitrophenyl)sulfanyl-1H-benzimidazole Openeye Name: 2-(3,5-dinitrophenyl)sulfanyl-1H-benzimidazole CAS Name: 2-[(3,5-dinitrophenyl)thio]-1H-benzimidazole IUPAC Name: 2-(3,5-dinitrophenyl)sulfanyl-1H-benzimidazole Traditional Name: 2-[(3,5-dinitrophenyl)thio]-1H-benzimidazole Formula: C13H8N4O4S MolecularWeight: 316.29202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8N4O4S/c18-16(19)8-5-9(17(20)21)7-10(6-8)22-13-14-11-3-1-2-4-12(11)15-13/h1-7H,(H,14,15)