2-[(2-azanyl-4-bromanyl-phenyl)sulfanylmethyl]-5-oxidanyl-pyran-4-one

Systemtic Name: 2-[(2-azanyl-4-bromanyl-phenyl)sulfanylmethyl]-5-oxidanyl-pyran-4-one Openeye Name: 2-[(2-amino-4-bromo-phenyl)sulfanylmethyl]-5-hydroxy-pyran-4-one CAS Name: 2-[[(2-amino-4-bromophenyl)thio]methyl]-5-hydroxy-4-pyranone IUPAC Name: 2-[(2-amino-4-bromophenyl)sulfanylmethyl]-5-hydroxypyran-4-one Traditional Name: 2-[[(2-amino-4-bromo-phenyl)thio]methyl]-5-hydroxy-pyran-4-one Formula: C12H10BrNO3S MolecularWeight: 328.1817

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)N)SCC2=CC(=O)C(=CO2)O

Isomeric SMILES

C1=CC(=C(C=C1Br)N)SCC2=CC(=O)C(=CO2)O

InChI

InChI=1S/C12H10BrNO3S/c13-7-1-2-12(9(14)3-7)18-6-8-4-10(15)11(16)5-17-8/h1-5,16H,6,14H2