3-[2-[(3-methyl-1H-imidazol-3-ium-2-yl)sulfanyl]ethanoyl]chromen-2-one bromide

Systemtic Name: 3-[2-[(3-methyl-1H-imidazol-3-ium-2-yl)sulfanyl]ethanoyl]chromen-2-one bromide Openeye Name: 3-[2-[(3-methyl-1H-imidazol-3-ium-2-yl)sulfanyl]acetyl]chromen-2-one bromide CAS Name: 3-[2-[(3-methyl-1H-imidazol-3-ium-2-yl)thio]-1-oxoethyl]-1-benzopyran-2-one bromide IUPAC Name: 3-[2-[(3-methyl-1H-imidazol-3-ium-2-yl)sulfanyl]acetyl]chromen-2-one bromide Traditional Name: 3-[2-[(3-methyl-1H-imidazol-3-ium-2-yl)thio]acetyl]coumarin bromide Formula: C15H13BrN2O3S MolecularWeight: 381.24432

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)SCC(=O)C2=CC3=CC=CC=C3OC2=O.[Br-]

Isomeric SMILES

C[N+]1=C(NC=C1)SCC(=O)C2=CC3=CC=CC=C3OC2=O.[Br-]

InChI

InChI=1S/C15H12N2O3S.BrH/c1-17-7-6-16-15(17)21-9-12(18)11-8-10-4-2-3-5-13(10)20-14(11)19;/h2-8H,9H2,1H3;1H