3-[3-(3-azanyl-2-phenyl-1-benzofuran-5-yl)-4-(trifluoromethylsulfonyl)thiophen-2-yl]propanoyl-(2-ethyl-5-methyl-1H-imidazol-4-yl)-methylidene-azanium

Systemtic Name: 3-[3-(3-azanyl-2-phenyl-1-benzofuran-5-yl)-4-(trifluoromethylsulfonyl)thiophen-2-yl]propanoyl-(2-ethyl-5-methyl-1H-imidazol-4-yl)-methylidene-azanium Openeye Name: 3-[3-(3-amino-2-phenyl-benzofuran-5-yl)-4-(trifluoromethylsulfonyl)-2-thienyl]propanoyl-(2-ethyl-5-methyl-1H-imidazol-4-yl)-methylene-ammonium CAS Name: [3-[3-(3-amino-2-phenyl-5-benzofuranyl)-4-(trifluoromethylsulfonyl)-2-thiophenyl]-1-oxopropyl]-(2-ethyl-5-methyl-1H-imidazol-4-yl)-methyleneammonium IUPAC Name: 3-[3-(3-amino-2-phenyl-1-benzofuran-5-yl)-4-(trifluoromethylsulfonyl)thiophen-2-yl]propanoyl-(2-ethyl-5-methyl-1H-imidazol-4-yl)-methylideneazanium Traditional Name: 3-[3-(3-amino-2-phenyl-benzofuran-5-yl)-4-triflyl-2-thienyl]propanoyl-(2-ethyl-5-methyl-1H-imidazol-4-yl)-methylene-ammonium Formula: C29H26F3N4O4S2+ MolecularWeight: 615.66635

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1)C)[N+](=C)C(=O)CCC2=C(C(=CS2)S(=O)(=O)C(F)(F)F)C3=CC4=C(C=C3)OC(=C4N)C5=CC=CC=C5

Isomeric SMILES

CCC1=NC(=C(N1)C)[N+](=C)C(=O)CCC2=C(C(=CS2)S(=O)(=O)C(F)(F)F)C3=CC4=C(C=C3)OC(=C4N)C5=CC=CC=C5

InChI

InChI=1S/C29H26F3N4O4S2/c1-4-23-34-16(2)28(35-23)36(3)24(37)13-12-21-25(22(15-41-21)42(38,39)29(30,31)32)18-10-11-20-19(14-18)26(33)27(40-20)17-8-6-5-7-9-17/h5-11,14-15H,3-4,12-13,33H2,1-2H3,(H,34,35)/q+1