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

Systemtic Name: 2-(cyclopentylsulfanylmethyl)-6-(2-imidazol-1-yl-1-phenyl-ethoxy)-3,4-dihydro-2H-naphthalen-1-one Openeye Name: 2-(cyclopentylsulfanylmethyl)-6-(2-imidazol-1-yl-1-phenyl-ethoxy)tetralin-1-one CAS Name: 2-[(cyclopentylthio)methyl]-6-[2-(1-imidazolyl)-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one IUPAC Name: 2-(cyclopentylsulfanylmethyl)-6-(2-imidazol-1-yl-1-phenylethoxy)-3,4-dihydro-2H-naphthalen-1-one Traditional Name: 2-[(cyclopentylthio)methyl]-6-(2-imidazol-1-yl-1-phenyl-ethoxy)tetralin-1-one Formula: C27H30N2O2S MolecularWeight: 446.6043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SCC2CCC3=C(C2=O)C=CC(=C3)OC(CN4C=CN=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)SCC2CCC3=C(C2=O)C=CC(=C3)OC(CN4C=CN=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H30N2O2S/c30-27-22(18-32-24-8-4-5-9-24)11-10-21-16-23(12-13-25(21)27)31-26(17-29-15-14-28-19-29)20-6-2-1-3-7-20/h1-3,6-7,12-16,19,22,24,26H,4-5,8-11,17-18H2