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

Systemtic Name: (E)-[2-oxidanylidene-4-[4-(phenylmethyl)pyridin-1-ium-1-yl]-1,3-thiazol-5-ylidene]methanolate Openeye Name: (E)-[4-(4-benzylpyridin-1-ium-1-yl)-2-oxo-thiazol-5-ylidene]methanolate CAS Name: (E)-[2-oxo-4-[4-(phenylmethyl)-1-pyridin-1-iumyl]-5-thiazolylidene]methanolate IUPAC Name: (E)-[4-(4-benzylpyridin-1-ium-1-yl)-2-oxo-1,3-thiazol-5-ylidene]methanolate Traditional Name: (E)-[4-(4-benzylpyridin-1-ium-1-yl)-2-keto-3-thiazolin-5-ylidene]methanolate Formula: C16H12N2O2S MolecularWeight: 296.34368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=[N+](C=C2)C3=NC(=O)SC3=C[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=[N+](C=C2)C\3=NC(=O)S/C3=C/[O-]

InChI

InChI=1S/C16H12N2O2S/c19-11-14-15(17-16(20)21-14)18-8-6-13(7-9-18)10-12-4-2-1-3-5-12/h1-9,11H,10H2