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

Systemtic Name: 5-(2-hydroxyethylsulfanylmethyl)-6-(2-imidazol-1-yl-1-phenyl-ethoxy)-3,4-dihydro-2H-naphthalen-1-one Openeye Name: 5-(2-hydroxyethylsulfanylmethyl)-6-(2-imidazol-1-yl-1-phenyl-ethoxy)tetralin-1-one CAS Name: 5-[(2-hydroxyethylthio)methyl]-6-[2-(1-imidazolyl)-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one IUPAC Name: 5-(2-hydroxyethylsulfanylmethyl)-6-(2-imidazol-1-yl-1-phenylethoxy)-3,4-dihydro-2H-naphthalen-1-one Traditional Name: 5-[(2-hydroxyethylthio)methyl]-6-(2-imidazol-1-yl-1-phenyl-ethoxy)tetralin-1-one Formula: C24H26N2O3S MolecularWeight: 422.53984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2CSCCO)OC(CN3C=CN=C3)C4=CC=CC=C4)C(=O)C1

Isomeric SMILES

C1CC2=C(C=CC(=C2CSCCO)OC(CN3C=CN=C3)C4=CC=CC=C4)C(=O)C1

InChI

InChI=1S/C24H26N2O3S/c27-13-14-30-16-21-19-7-4-8-22(28)20(19)9-10-23(21)29-24(15-26-12-11-25-17-26)18-5-2-1-3-6-18/h1-3,5-6,9-12,17,24,27H,4,7-8,13-16H2