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

Systemtic Name: (Z)-[2-oxidanylidene-4-(3-propan-2-ylpyridin-1-ium-1-yl)-1,3-thiazol-5-ylidene]methanolate Openeye Name: (Z)-[4-(3-isopropylpyridin-1-ium-1-yl)-2-oxo-thiazol-5-ylidene]methanolate CAS Name: (Z)-[2-oxo-4-(3-propan-2-yl-1-pyridin-1-iumyl)-5-thiazolylidene]methanolate IUPAC Name: (Z)-[2-oxo-4-(3-propan-2-ylpyridin-1-ium-1-yl)-1,3-thiazol-5-ylidene]methanolate Traditional Name: (Z)-[4-(3-isopropylpyridin-1-ium-1-yl)-2-keto-3-thiazolin-5-ylidene]methanolate Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O2S/c1-8(2)9-4-3-5-14(6-9)11-10(7-15)17-12(16)13-11/h3-8H,1-2H3