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

Systemtic Name: 6-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-(pyridin-4-ylsulfanylmethyl)-3,4-dihydro-2H-naphthalen-1-one Openeye Name: 6-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-(4-pyridylsulfanylmethyl)tetralin-1-one CAS Name: 6-[2-(1-imidazolyl)-1-phenylethoxy]-5-[(pyridin-4-ylthio)methyl]-3,4-dihydro-2H-naphthalen-1-one IUPAC Name: 6-(2-imidazol-1-yl-1-phenylethoxy)-5-(pyridin-4-ylsulfanylmethyl)-3,4-dihydro-2H-naphthalen-1-one Traditional Name: 6-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-[(4-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=NC=C3)OC(CN4C=CN=C4)C5=CC=CC=C5)C(=O)C1

Isomeric SMILES

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

InChI

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