2-(3-bromophenyl)-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: 2-(3-bromophenyl)-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: 2-(3-bromophenyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: 2-(3-bromophenyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-1-(3-pyridin-1-iumylmethyl)-2H-pyrrol-4-olate IUPAC Name: 2-(3-bromophenyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: 5-(3-bromophenyl)-2-keto-1-(pyridin-1-ium-3-ylmethyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C21H15BrN2O3S MolecularWeight: 455.3244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)[O-])C(=O)C4=CC=CS4

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)[O-])C(=O)C4=CC=CS4

InChI

InChI=1S/C21H15BrN2O3S/c22-15-6-1-5-14(10-15)18-17(19(25)16-7-3-9-28-16)20(26)21(27)24(18)12-13-4-2-8-23-11-13/h1-11,18,26H,12H2