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

Systemtic Name: (Z)-[2-oxidanylidene-4-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]-1,3-thiazol-5-ylidene]methanolate Openeye Name: (Z)-[4-(4-benzoylpyridin-1-ium-1-yl)-2-oxo-thiazol-5-ylidene]methanolate CAS Name: (Z)-[4-(4-benzoyl-1-pyridin-1-iumyl)-2-oxo-5-thiazolylidene]methanolate IUPAC Name: (Z)-[4-(4-benzoylpyridin-1-ium-1-yl)-2-oxo-1,3-thiazol-5-ylidene]methanolate Traditional Name: (Z)-[4-(4-benzoylpyridin-1-ium-1-yl)-2-keto-3-thiazolin-5-ylidene]methanolate Formula: C16H10N2O3S MolecularWeight: 310.3272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=[N+](C=C2)C3=NC(=O)SC3=C[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=[N+](C=C2)C\3=NC(=O)S/C3=C\[O-]

InChI

InChI=1S/C16H10N2O3S/c19-10-13-15(17-16(21)22-13)18-8-6-12(7-9-18)14(20)11-4-2-1-3-5-11/h1-10H