(E)-3-azanyl-2-[2-[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]sulfanylethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[[1-(4-fluorophenyl)-5-nitro-2-benzimidazolyl]thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[1-(4-fluorophenyl)-5-nitrobenzimidazol-2-yl]sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]thio]acetyl]but-2-enenitrile Formula: C19H14FN5O3S MolecularWeight: 411.409563

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NC2=C(N1C3=CC=C(C=C3)F)C=CC(=C2)[N+](=O)[O-])N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NC2=C(N1C3=CC=C(C=C3)F)C=CC(=C2)[N+](=O)[O-])/N

InChI

InChI=1S/C19H14FN5O3S/c1-11(22)15(9-21)18(26)10-29-19-23-16-8-14(25(27)28)6-7-17(16)24(19)13-4-2-12(20)3-5-13/h2-8H,10,22H2,1H3/b15-11+