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

Systemtic Name: (Z)-[2-oxidanylidene-4-[3-(phenylmethyl)pyridin-1-ium-1-yl]-1,3-thiazol-5-ylidene]methanolate Openeye Name: (Z)-[4-(3-benzylpyridin-1-ium-1-yl)-2-oxo-thiazol-5-ylidene]methanolate CAS Name: (Z)-[2-oxo-4-[3-(phenylmethyl)-1-pyridin-1-iumyl]-5-thiazolylidene]methanolate IUPAC Name: (Z)-[4-(3-benzylpyridin-1-ium-1-yl)-2-oxo-1,3-thiazol-5-ylidene]methanolate Traditional Name: (Z)-[4-(3-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=C[N+](=CC=C2)C3=NC(=O)SC3=C[O-]

Isomeric SMILES

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

InChI

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