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

Systemtic Name: 6-[(1S)-2-(1H-imidazol-2-yl)-1-phenyl-ethoxy]-5-[(4-nitrophenyl)sulfanylmethyl]-3,4-dihydro-2H-naphthalen-1-one Openeye Name: 6-[(1S)-2-(1H-imidazol-2-yl)-1-phenyl-ethoxy]-5-[(4-nitrophenyl)sulfanylmethyl]tetralin-1-one CAS Name: 6-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethoxy]-5-[[(4-nitrophenyl)thio]methyl]-3,4-dihydro-2H-naphthalen-1-one IUPAC Name: 6-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethoxy]-5-[(4-nitrophenyl)sulfanylmethyl]-3,4-dihydro-2H-naphthalen-1-one Traditional Name: 6-[(1S)-2-(1H-imidazol-2-yl)-1-phenyl-ethoxy]-5-[[(4-nitrophenyl)thio]methyl]tetralin-1-one Formula: C28H25N3O4S MolecularWeight: 499.5808

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2CSC3=CC=C(C=C3)[N+](=O)[O-])OC(CC4=NC=CN4)C5=CC=CC=C5)C(=O)C1

Isomeric SMILES

C1CC2=C(C=CC(=C2CSC3=CC=C(C=C3)[N+](=O)[O-])O[C@@H](CC4=NC=CN4)C5=CC=CC=C5)C(=O)C1

InChI

InChI=1S/C28H25N3O4S/c32-25-8-4-7-22-23(25)13-14-26(24(22)18-36-21-11-9-20(10-12-21)31(33)34)35-27(17-28-29-15-16-30-28)19-5-2-1-3-6-19/h1-3,5-6,9-16,27H,4,7-8,17-18H2,(H,29,30)/t27-/m0/s1