2-[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanylethanenitrile Openeye Name: 2-[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanylacetonitrile CAS Name: 2-[[5-nitro-1-[3-(trifluoromethyl)phenyl]-2-benzimidazolyl]thio]acetonitrile IUPAC Name: 2-[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanylacetonitrile Traditional Name: 2-[[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]thio]acetonitrile Formula: C16H9F3N4O2S MolecularWeight: 378.32847

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC#N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC#N)C(F)(F)F

InChI

InChI=1S/C16H9F3N4O2S/c17-16(18,19)10-2-1-3-11(8-10)22-14-5-4-12(23(24)25)9-13(14)21-15(22)26-7-6-20/h1-5,8-9H,7H2