[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-[2-(phenylmethyl)-1-benzothiophen-3-yl]methanone

Systemtic Name: [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-[2-(phenylmethyl)-1-benzothiophen-3-yl]methanone Openeye Name: (2-benzylbenzothiophen-3-yl)-(3,5-dibromo-4-hydroxy-phenyl)methanone CAS Name: (3,5-dibromo-4-hydroxyphenyl)-[2-(phenylmethyl)-1-benzothiophen-3-yl]methanone IUPAC Name: (2-benzyl-1-benzothiophen-3-yl)-(3,5-dibromo-4-hydroxyphenyl)methanone Traditional Name: (2-benzylbenzothiophen-3-yl)-(3,5-dibromo-4-hydroxy-phenyl)methanone Formula: C22H14Br2O2S MolecularWeight: 502.21836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3S2)C(=O)C4=CC(=C(C(=C4)Br)O)Br

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3S2)C(=O)C4=CC(=C(C(=C4)Br)O)Br

InChI

InChI=1S/C22H14Br2O2S/c23-16-11-14(12-17(24)22(16)26)21(25)20-15-8-4-5-9-18(15)27-19(20)10-13-6-2-1-3-7-13/h1-9,11-12,26H,10H2