(Z)-[4-(4-tert-butylpyridin-1-ium-1-yl)-2-oxidanylidene-1,3-thiazol-5-ylidene]methanolate

Systemtic Name: (Z)-[4-(4-tert-butylpyridin-1-ium-1-yl)-2-oxidanylidene-1,3-thiazol-5-ylidene]methanolate Openeye Name: (Z)-[4-(4-tert-butylpyridin-1-ium-1-yl)-2-oxo-thiazol-5-ylidene]methanolate CAS Name: (Z)-[4-(4-tert-butyl-1-pyridin-1-iumyl)-2-oxo-5-thiazolylidene]methanolate IUPAC Name: (Z)-[4-(4-tert-butylpyridin-1-ium-1-yl)-2-oxo-1,3-thiazol-5-ylidene]methanolate Traditional Name: (Z)-[4-(4-tert-butylpyridin-1-ium-1-yl)-2-keto-3-thiazolin-5-ylidene]methanolate Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=[N+](C=C1)C2=NC(=O)SC2=C[O-]

Isomeric SMILES

CC(C)(C)C1=CC=[N+](C=C1)C\2=NC(=O)S/C2=C\[O-]

InChI

InChI=1S/C13H14N2O2S/c1-13(2,3)9-4-6-15(7-5-9)11-10(8-16)18-12(17)14-11/h4-8H,1-3H3