3-[2-[2-[2-(2-cyanoethoxy)ethylsulfanyl]-5-nitro-benzimidazol-1-yl]ethoxy]propanenitrile

Systemtic Name: 3-[2-[2-[2-(2-cyanoethoxy)ethylsulfanyl]-5-nitro-benzimidazol-1-yl]ethoxy]propanenitrile Openeye Name: 3-[2-[2-[2-(2-cyanoethoxy)ethylsulfanyl]-5-nitro-benzimidazol-1-yl]ethoxy]propanenitrile CAS Name: 3-[2-[2-[2-(2-cyanoethoxy)ethylthio]-5-nitro-1-benzimidazolyl]ethoxy]propanenitrile IUPAC Name: 3-[2-[2-[2-(2-cyanoethoxy)ethylsulfanyl]-5-nitrobenzimidazol-1-yl]ethoxy]propanenitrile Traditional Name: 3-[2-[2-[2-(2-cyanoethoxy)ethylthio]-5-nitro-benzimidazol-1-yl]ethoxy]propionitrile Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])N=C(N2CCOCCC#N)SCCOCCC#N

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])N=C(N2CCOCCC#N)SCCOCCC#N

InChI

InChI=1S/C17H19N5O4S/c18-5-1-8-25-10-7-21-16-4-3-14(22(23)24)13-15(16)20-17(21)27-12-11-26-9-2-6-19/h3-4,13H,1-2,7-12H2