3-[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethoxy]propanenitrile

Systemtic Name: 3-[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethoxy]propanenitrile Openeye Name: 3-[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethoxy]propanenitrile CAS Name: 3-[2-[(6-nitro-1H-benzimidazol-2-yl)thio]ethoxy]propanenitrile IUPAC Name: 3-[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethoxy]propanenitrile Traditional Name: 3-[2-[(6-nitro-1H-benzimidazol-2-yl)thio]ethoxy]propionitrile Formula: C12H12N4O3S MolecularWeight: 292.31368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)SCCOCCC#N

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)SCCOCCC#N

InChI

InChI=1S/C12H12N4O3S/c13-4-1-5-19-6-7-20-12-14-10-3-2-9(16(17)18)8-11(10)15-12/h2-3,8H,1,5-7H2,(H,14,15)