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

Systemtic Name: 6-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-[(3-methoxyphenyl)sulfanylmethyl]-3,4-dihydro-2H-naphthalen-1-one Openeye Name: 6-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-[(3-methoxyphenyl)sulfanylmethyl]tetralin-1-one CAS Name: 6-[2-(1-imidazolyl)-1-phenylethoxy]-5-[[(3-methoxyphenyl)thio]methyl]-3,4-dihydro-2H-naphthalen-1-one IUPAC Name: 6-(2-imidazol-1-yl-1-phenylethoxy)-5-[(3-methoxyphenyl)sulfanylmethyl]-3,4-dihydro-2H-naphthalen-1-one Traditional Name: 6-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-[[(3-methoxyphenyl)thio]methyl]tetralin-1-one Formula: C29H28N2O3S MolecularWeight: 484.60922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SCC2=C(C=CC3=C2CCCC3=O)OC(CN4C=CN=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC(=CC=C1)SCC2=C(C=CC3=C2CCCC3=O)OC(CN4C=CN=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H28N2O3S/c1-33-22-9-5-10-23(17-22)35-19-26-24-11-6-12-27(32)25(24)13-14-28(26)34-29(18-31-16-15-30-20-31)21-7-3-2-4-8-21/h2-5,7-10,13-17,20,29H,6,11-12,18-19H2,1H3