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

Systemtic Name: 6-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-(pyridin-2-ylsulfanylmethyl)-3,4-dihydro-2H-naphthalen-1-one Openeye Name: 6-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-(2-pyridylsulfanylmethyl)tetralin-1-one CAS Name: 6-[2-(1-imidazolyl)-1-phenylethoxy]-5-[(2-pyridinylthio)methyl]-3,4-dihydro-2H-naphthalen-1-one IUPAC Name: 6-(2-imidazol-1-yl-1-phenylethoxy)-5-(pyridin-2-ylsulfanylmethyl)-3,4-dihydro-2H-naphthalen-1-one Traditional Name: 6-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-[(2-pyridylthio)methyl]tetralin-1-one Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2CSC3=CC=CC=N3)OC(CN4C=CN=C4)C5=CC=CC=C5)C(=O)C1

Isomeric SMILES

C1CC2=C(C=CC(=C2CSC3=CC=CC=N3)OC(CN4C=CN=C4)C5=CC=CC=C5)C(=O)C1

InChI

InChI=1S/C27H25N3O2S/c31-24-10-6-9-21-22(24)12-13-25(23(21)18-33-27-11-4-5-14-29-27)32-26(17-30-16-15-28-19-30)20-7-2-1-3-8-20/h1-5,7-8,11-16,19,26H,6,9-10,17-18H2