5,6-bis(chloranyl)-2-[(3,5-dinitrophenyl)methylsulfanyl]-1H-benzimidazole

Systemtic Name: 5,6-bis(chloranyl)-2-[(3,5-dinitrophenyl)methylsulfanyl]-1H-benzimidazole Openeye Name: 5,6-dichloro-2-[(3,5-dinitrophenyl)methylsulfanyl]-1H-benzimidazole CAS Name: 5,6-dichloro-2-[(3,5-dinitrophenyl)methylthio]-1H-benzimidazole IUPAC Name: 5,6-dichloro-2-[(3,5-dinitrophenyl)methylsulfanyl]-1H-benzimidazole Traditional Name: 5,6-dichloro-2-[(3,5-dinitrobenzyl)thio]-1H-benzimidazole Formula: C14H8Cl2N4O4S MolecularWeight: 399.20872

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CSC2=NC3=CC(=C(C=C3N2)Cl)Cl

Isomeric SMILES

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CSC2=NC3=CC(=C(C=C3N2)Cl)Cl

InChI

InChI=1S/C14H8Cl2N4O4S/c15-10-4-12-13(5-11(10)16)18-14(17-12)25-6-7-1-8(19(21)22)3-9(2-7)20(23)24/h1-5H,6H2,(H,17,18)