3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxidanylidene-2-thiophen-2-yl-2H-pyrrol-4-olate

Systemtic Name: 3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxidanylidene-2-thiophen-2-yl-2H-pyrrol-4-olate Openeye Name: 3-(2,4-dimethylthiazole-5-carbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2-(2-thienyl)-2H-pyrrol-4-olate CAS Name: 3-[(2,4-dimethyl-5-thiazolyl)-oxomethyl]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate IUPAC Name: 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate Traditional Name: 4-(2,4-dimethylthiazole-5-carbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-keto-5-(2-thienyl)-3-pyrrolin-3-olate Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC=CS3)CCC[N+]4=CNC=C4)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC=CS3)CCC[N+]4=CNC=C4)[O-]

InChI

InChI=1S/C20H20N4O3S2/c1-12-19(29-13(2)22-12)17(25)15-16(14-5-3-10-28-14)24(20(27)18(15)26)8-4-7-23-9-6-21-11-23/h3,5-6,9-11,16H,4,7-8H2,1-2H3,(H,25,26)