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

Systemtic Name: 6-ethoxy-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1H-benzimidazole Openeye Name: 6-ethoxy-2-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-1H-benzimidazole CAS Name: 6-ethoxy-2-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-1H-benzimidazole IUPAC Name: 6-ethoxy-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1H-benzimidazole Traditional Name: 6-ethoxy-2-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]-1H-benzimidazole Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SC=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)S/C=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O4S/c1-2-21-11-3-5-12-13(9-11)17-15(16-12)23-8-7-10-4-6-14(22-10)18(19)20/h3-9H,2H2,1H3,(H,16,17)/b8-7+