2-[(2-chloranyl-5-nitro-phenyl)methylsulfanyl]-1H-benzimidazole

Systemtic Name: 2-[(2-chloranyl-5-nitro-phenyl)methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[(2-chloro-5-nitro-phenyl)methylsulfanyl]-1H-benzimidazole CAS Name: 2-[(2-chloro-5-nitrophenyl)methylthio]-1H-benzimidazole IUPAC Name: 2-[(2-chloro-5-nitrophenyl)methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[(2-chloro-5-nitro-benzyl)thio]-1H-benzimidazole Formula: C14H10ClN3O2S MolecularWeight: 319.7661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10ClN3O2S/c15-11-6-5-10(18(19)20)7-9(11)8-21-14-16-12-3-1-2-4-13(12)17-14/h1-7H,8H2,(H,16,17)