6-[(1S)-2-(1H-imidazol-2-yl)-1-phenyl-ethoxy]-5-[(4-methylphenyl)sulfanylmethyl]-3,4-dihydro-2H-naphthalen-1-one

Systemtic Name: 6-[(1S)-2-(1H-imidazol-2-yl)-1-phenyl-ethoxy]-5-[(4-methylphenyl)sulfanylmethyl]-3,4-dihydro-2H-naphthalen-1-one Openeye Name: 6-[(1S)-2-(1H-imidazol-2-yl)-1-phenyl-ethoxy]-5-(p-tolylsulfanylmethyl)tetralin-1-one CAS Name: 6-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethoxy]-5-[[(4-methylphenyl)thio]methyl]-3,4-dihydro-2H-naphthalen-1-one IUPAC Name: 6-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethoxy]-5-[(4-methylphenyl)sulfanylmethyl]-3,4-dihydro-2H-naphthalen-1-one Traditional Name: 6-[(1S)-2-(1H-imidazol-2-yl)-1-phenyl-ethoxy]-5-[(p-tolylthio)methyl]tetralin-1-one Formula: C29H28N2O2S MolecularWeight: 468.60982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=C(C=CC3=C2CCCC3=O)OC(CC4=NC=CN4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=C(C=CC3=C2CCCC3=O)O[C@@H](CC4=NC=CN4)C5=CC=CC=C5

InChI

InChI=1S/C29H28N2O2S/c1-20-10-12-22(13-11-20)34-19-25-23-8-5-9-26(32)24(23)14-15-27(25)33-28(18-29-30-16-17-31-29)21-6-3-2-4-7-21/h2-4,6-7,10-17,28H,5,8-9,18-19H2,1H3,(H,30,31)/t28-/m0/s1