3-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylpropanenitrile

Systemtic Name: 3-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylpropanenitrile Openeye Name: 3-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylpropanenitrile CAS Name: 3-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]propanenitrile IUPAC Name: 3-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylpropanenitrile Traditional Name: 3-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]propionitrile Formula: C17H14N4O3S MolecularWeight: 354.38306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCCC#N

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCCC#N

InChI

InChI=1S/C17H14N4O3S/c1-24-16-6-3-2-5-15(16)20-14-8-7-12(21(22)23)11-13(14)19-17(20)25-10-4-9-18/h2-3,5-8,11H,4,10H2,1H3