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

Systemtic Name: (E)-[4-(4-bromanylisoquinolin-2-ium-2-yl)-2-oxidanylidene-1,3-thiazol-5-ylidene]methanolate Openeye Name: (E)-[4-(4-bromoisoquinolin-2-ium-2-yl)-2-oxo-thiazol-5-ylidene]methanolate CAS Name: (E)-[4-(4-bromo-2-isoquinolin-2-iumyl)-2-oxo-5-thiazolylidene]methanolate IUPAC Name: (E)-[4-(4-bromoisoquinolin-2-ium-2-yl)-2-oxo-1,3-thiazol-5-ylidene]methanolate Traditional Name: (E)-[4-(4-bromoisoquinolin-2-ium-2-yl)-2-keto-3-thiazolin-5-ylidene]methanolate Formula: C13H7BrN2O2S MolecularWeight: 335.17588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=[N+](C=C2Br)C3=NC(=O)SC3=C[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=[N+](C=C2Br)C\3=NC(=O)S/C3=C/[O-]

InChI

InChI=1S/C13H7BrN2O2S/c14-10-6-16(5-8-3-1-2-4-9(8)10)12-11(7-17)19-13(18)15-12/h1-7H