(E)-[4-(3,5-diethylpyridin-1-ium-1-yl)-2-oxidanylidene-1,3-thiazol-5-ylidene]methanolate

Systemtic Name: (E)-[4-(3,5-diethylpyridin-1-ium-1-yl)-2-oxidanylidene-1,3-thiazol-5-ylidene]methanolate Openeye Name: (E)-[4-(3,5-diethylpyridin-1-ium-1-yl)-2-oxo-thiazol-5-ylidene]methanolate CAS Name: (E)-[4-(3,5-diethyl-1-pyridin-1-iumyl)-2-oxo-5-thiazolylidene]methanolate IUPAC Name: (E)-[4-(3,5-diethylpyridin-1-ium-1-yl)-2-oxo-1,3-thiazol-5-ylidene]methanolate Traditional Name: (E)-[4-(3,5-diethylpyridin-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:

CCC1=CC(=C[N+](=C1)C2=NC(=O)SC2=C[O-])CC

Isomeric SMILES

CCC1=CC(=C[N+](=C1)C\2=NC(=O)S/C2=C/[O-])CC

InChI

InChI=1S/C13H14N2O2S/c1-3-9-5-10(4-2)7-15(6-9)12-11(8-16)18-13(17)14-12/h5-8H,3-4H2,1-2H3