6-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-(phenylsulfanylmethyl)-3,4-dihydro-2H-naphthalen-1-one

Systemtic Name: 6-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-(phenylsulfanylmethyl)-3,4-dihydro-2H-naphthalen-1-one Openeye Name: 6-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-(phenylsulfanylmethyl)tetralin-1-one CAS Name: 6-[2-(1-imidazolyl)-1-phenylethoxy]-5-[(phenylthio)methyl]-3,4-dihydro-2H-naphthalen-1-one IUPAC Name: 6-(2-imidazol-1-yl-1-phenylethoxy)-5-(phenylsulfanylmethyl)-3,4-dihydro-2H-naphthalen-1-one Traditional Name: 6-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-[(phenylthio)methyl]tetralin-1-one Formula: C28H26N2O2S MolecularWeight: 454.58324

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2CSC3=CC=CC=C3)OC(CN4C=CN=C4)C5=CC=CC=C5)C(=O)C1

Isomeric SMILES

C1CC2=C(C=CC(=C2CSC3=CC=CC=C3)OC(CN4C=CN=C4)C5=CC=CC=C5)C(=O)C1

InChI

InChI=1S/C28H26N2O2S/c31-26-13-7-12-23-24(26)14-15-27(25(23)19-33-22-10-5-2-6-11-22)32-28(18-30-17-16-29-20-30)21-8-3-1-4-9-21/h1-6,8-11,14-17,20,28H,7,12-13,18-19H2