6-methoxy-2-[(4-nitrophenyl)methylsulfanyl]-1H-benzimidazole

Systemtic Name: 6-methoxy-2-[(4-nitrophenyl)methylsulfanyl]-1H-benzimidazole Openeye Name: 6-methoxy-2-[(4-nitrophenyl)methylsulfanyl]-1H-benzimidazole CAS Name: 6-methoxy-2-[(4-nitrophenyl)methylthio]-1H-benzimidazole IUPAC Name: 6-methoxy-2-[(4-nitrophenyl)methylsulfanyl]-1H-benzimidazole Traditional Name: 6-methoxy-2-[(4-nitrobenzyl)thio]-1H-benzimidazole Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O3S/c1-21-12-6-7-13-14(8-12)17-15(16-13)22-9-10-2-4-11(5-3-10)18(19)20/h2-8H,9H2,1H3,(H,16,17)