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

Systemtic Name: 3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2-pyridin-4-yl-2H-pyrrol-4-olate Openeye Name: 3-(2,4-dimethylthiazole-5-carbonyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2-(4-pyridyl)-2H-pyrrol-4-olate CAS Name: 3-[(2,4-dimethyl-5-thiazolyl)-oxomethyl]-5-oxo-1-(3-pyridin-1-iumylmethyl)-2-pyridin-4-yl-2H-pyrrol-4-olate IUPAC Name: 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2-pyridin-4-yl-2H-pyrrol-4-olate Traditional Name: 4-(2,4-dimethylthiazole-5-carbonyl)-2-keto-1-(pyridin-1-ium-3-ylmethyl)-5-(4-pyridyl)-3-pyrrolin-3-olate Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC=NC=C3)CC4=C[NH+]=CC=C4)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC=NC=C3)CC4=C[NH+]=CC=C4)[O-]

InChI

InChI=1S/C21H18N4O3S/c1-12-20(29-13(2)24-12)18(26)16-17(15-5-8-22-9-6-15)25(21(28)19(16)27)11-14-4-3-7-23-10-14/h3-10,17,27H,11H2,1-2H3