5-[(3,4-dichlorophenyl)methylsulfanylmethyl]-6-(2-imidazol-1-yl-1-phenyl-ethoxy)-3,4-dihydro-2H-naphthalen-1-one

Systemtic Name: 5-[(3,4-dichlorophenyl)methylsulfanylmethyl]-6-(2-imidazol-1-yl-1-phenyl-ethoxy)-3,4-dihydro-2H-naphthalen-1-one Openeye Name: 5-[(3,4-dichlorophenyl)methylsulfanylmethyl]-6-(2-imidazol-1-yl-1-phenyl-ethoxy)tetralin-1-one CAS Name: 5-[[(3,4-dichlorophenyl)methylthio]methyl]-6-[2-(1-imidazolyl)-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one IUPAC Name: 5-[(3,4-dichlorophenyl)methylsulfanylmethyl]-6-(2-imidazol-1-yl-1-phenylethoxy)-3,4-dihydro-2H-naphthalen-1-one Traditional Name: 5-[[(3,4-dichlorobenzyl)thio]methyl]-6-(2-imidazol-1-yl-1-phenyl-ethoxy)tetralin-1-one Formula: C29H26Cl2N2O2S MolecularWeight: 537.49994

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2CSCC3=CC(=C(C=C3)Cl)Cl)OC(CN4C=CN=C4)C5=CC=CC=C5)C(=O)C1

Isomeric SMILES

C1CC2=C(C=CC(=C2CSCC3=CC(=C(C=C3)Cl)Cl)OC(CN4C=CN=C4)C5=CC=CC=C5)C(=O)C1

InChI

InChI=1S/C29H26Cl2N2O2S/c30-25-11-9-20(15-26(25)31)17-36-18-24-22-7-4-8-27(34)23(22)10-12-28(24)35-29(16-33-14-13-32-19-33)21-5-2-1-3-6-21/h1-3,5-6,9-15,19,29H,4,7-8,16-18H2