4-(4-tert-butylpyridin-1-ium-1-yl)-5-[(E)-(pyridin-3-ylcarbonylhydrazinylidene)methyl]-1,3-thiazol-2-olate

Systemtic Name: 4-(4-tert-butylpyridin-1-ium-1-yl)-5-[(E)-(pyridin-3-ylcarbonylhydrazinylidene)methyl]-1,3-thiazol-2-olate Openeye Name: 4-(4-tert-butylpyridin-1-ium-1-yl)-5-[(E)-(pyridine-3-carbonylhydrazono)methyl]thiazol-2-olate CAS Name: 4-(4-tert-butyl-1-pyridin-1-iumyl)-5-[(E)-[[oxo(3-pyridinyl)methyl]hydrazinylidene]methyl]-2-thiazololate IUPAC Name: 4-(4-tert-butylpyridin-1-ium-1-yl)-5-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]-1,3-thiazol-2-olate Traditional Name: 4-(4-tert-butylpyridin-1-ium-1-yl)-5-[(E)-(nicotinoylhydrazono)methyl]thiazol-2-olate Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=[N+](C=C1)C2=C(SC(=N2)[O-])C=NNC(=O)C3=CN=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=[N+](C=C1)C2=C(SC(=N2)[O-])/C=N/NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C19H19N5O2S/c1-19(2,3)14-6-9-24(10-7-14)16-15(27-18(26)22-16)12-21-23-17(25)13-5-4-8-20-11-13/h4-12H,1-3H3,(H-,21,22,23,25,26)