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

Systemtic Name: 3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-2-(4-methylphenyl)-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Openeye Name: 3-(2,4-dimethylthiazole-5-carbonyl)-5-oxo-2-(p-tolyl)-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate CAS Name: 3-[(2,4-dimethyl-5-thiazolyl)-oxomethyl]-2-(4-methylphenyl)-5-oxo-1-(3-pyridin-1-iumylmethyl)-2H-pyrrol-4-olate IUPAC Name: 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(4-methylphenyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Traditional Name: 4-(2,4-dimethylthiazole-5-carbonyl)-2-keto-5-(p-tolyl)-1-(pyridin-1-ium-3-ylmethyl)-3-pyrrolin-3-olate Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)[O-])C(=O)C4=C(N=C(S4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)[O-])C(=O)C4=C(N=C(S4)C)C

InChI

InChI=1S/C23H21N3O3S/c1-13-6-8-17(9-7-13)19-18(20(27)22-14(2)25-15(3)30-22)21(28)23(29)26(19)12-16-5-4-10-24-11-16/h4-11,19,28H,12H2,1-3H3