6-methoxy-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1H-benzimidazole

Systemtic Name: 6-methoxy-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1H-benzimidazole Openeye Name: 6-methoxy-2-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-1H-benzimidazole CAS Name: 6-methoxy-2-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-1H-benzimidazole IUPAC Name: 6-methoxy-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1H-benzimidazole Traditional Name: 6-methoxy-2-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]-1H-benzimidazole Formula: C14H11N3O4S MolecularWeight: 317.31984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SC=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)S/C=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O4S/c1-20-10-2-4-11-12(8-10)16-14(15-11)22-7-6-9-3-5-13(21-9)17(18)19/h2-8H,1H3,(H,15,16)/b7-6+