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

Systemtic Name: 3-[4-(3-azanyl-2-phenyl-1-benzofuran-5-yl)-3-(5-methyl-2-propyl-1H-imidazol-4-yl)-5-(trifluoromethylsulfonyl)thiophen-2-yl]propanoyl-ethyl-methylidene-azanium Openeye Name: 3-[4-(3-amino-2-phenyl-benzofuran-5-yl)-3-(5-methyl-2-propyl-1H-imidazol-4-yl)-5-(trifluoromethylsulfonyl)-2-thienyl]propanoyl-ethyl-methylene-ammonium CAS Name: [3-[4-(3-amino-2-phenyl-5-benzofuranyl)-3-(5-methyl-2-propyl-1H-imidazol-4-yl)-5-(trifluoromethylsulfonyl)-2-thiophenyl]-1-oxopropyl]-ethyl-methyleneammonium IUPAC Name: 3-[4-(3-amino-2-phenyl-1-benzofuran-5-yl)-3-(5-methyl-2-propyl-1H-imidazol-4-yl)-5-(trifluoromethylsulfonyl)thiophen-2-yl]propanoyl-ethyl-methylideneazanium Traditional Name: 3-[4-(3-amino-2-phenyl-benzofuran-5-yl)-3-(5-methyl-2-propyl-1H-imidazol-4-yl)-5-triflyl-2-thienyl]propanoyl-ethyl-methylene-ammonium Formula: C32H32F3N4O4S2+ MolecularWeight: 657.74609

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1)C)C2=C(SC(=C2C3=CC4=C(C=C3)OC(=C4N)C5=CC=CC=C5)S(=O)(=O)C(F)(F)F)CCC(=O)[N+](=C)CC

Isomeric SMILES

CCCC1=NC(=C(N1)C)C2=C(SC(=C2C3=CC4=C(C=C3)OC(=C4N)C5=CC=CC=C5)S(=O)(=O)C(F)(F)F)CCC(=O)[N+](=C)CC

InChI

InChI=1S/C32H32F3N4O4S2/c1-5-10-24-37-18(3)29(38-24)27-23(15-16-25(40)39(4)6-2)44-31(45(41,42)32(33,34)35)26(27)20-13-14-22-21(17-20)28(36)30(43-22)19-11-8-7-9-12-19/h7-9,11-14,17H,4-6,10,15-16,36H2,1-3H3,(H,37,38)/q+1