3-[2-(2-cyanoethylsulfanyl)-5-nitro-benzimidazol-1-yl]propanenitrile

Systemtic Name: 3-[2-(2-cyanoethylsulfanyl)-5-nitro-benzimidazol-1-yl]propanenitrile Openeye Name: 3-[2-(2-cyanoethylsulfanyl)-5-nitro-benzimidazol-1-yl]propanenitrile CAS Name: 3-[2-(2-cyanoethylthio)-5-nitro-1-benzimidazolyl]propanenitrile IUPAC Name: 3-[2-(2-cyanoethylsulfanyl)-5-nitrobenzimidazol-1-yl]propanenitrile Traditional Name: 3-[2-(2-cyanoethylthio)-5-nitro-benzimidazol-1-yl]propionitrile Formula: C13H11N5O2S MolecularWeight: 301.32374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])N=C(N2CCC#N)SCCC#N

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])N=C(N2CCC#N)SCCC#N

InChI

InChI=1S/C13H11N5O2S/c14-5-1-7-17-12-4-3-10(18(19)20)9-11(12)16-13(17)21-8-2-6-15/h3-4,9H,1-2,7-8H2