(2E)-4-anthracen-9-ylcarbonyl-2-[(4-bromophenyl)-oxidanyl-methylidene]-5-(methylamino)thiophen-3-one

Systemtic Name: (2E)-4-anthracen-9-ylcarbonyl-2-[(4-bromophenyl)-oxidanyl-methylidene]-5-(methylamino)thiophen-3-one Openeye Name: (2E)-4-(anthracene-9-carbonyl)-2-[(4-bromophenyl)-hydroxy-methylene]-5-(methylamino)thiophen-3-one CAS Name: (2E)-4-[9-anthracenyl(oxo)methyl]-2-[(4-bromophenyl)-hydroxymethylidene]-5-(methylamino)-3-thiophenone IUPAC Name: (2E)-4-(anthracene-9-carbonyl)-2-[(4-bromophenyl)-hydroxymethylidene]-5-(methylamino)thiophen-3-one Traditional Name: (2E)-4-(anthracene-9-carbonyl)-2-[(4-bromophenyl)-hydroxy-methylene]-5-(methylamino)thiophen-3-one Formula: C27H18BrNO3S MolecularWeight: 516.40572

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=O)C(=C(C2=CC=C(C=C2)Br)O)S1)C(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53

Isomeric SMILES

CNC1=C(C(=O)/C(=C(/C2=CC=C(C=C2)Br)\O)/S1)C(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53

InChI

InChI=1S/C27H18BrNO3S/c1-29-27-22(25(32)26(33-27)23(30)15-10-12-18(28)13-11-15)24(31)21-19-8-4-2-6-16(19)14-17-7-3-5-9-20(17)21/h2-14,29-30H,1H3/b26-23+