6-[(1S)-2-imidazol-1-yl-1-phenyl-ethyl]sulfanyl-5-phenethyl-3,4-dihydro-2H-naphthalen-1-one

Systemtic Name: 6-[(1S)-2-imidazol-1-yl-1-phenyl-ethyl]sulfanyl-5-phenethyl-3,4-dihydro-2H-naphthalen-1-one Openeye Name: 6-[(1S)-2-imidazol-1-yl-1-phenyl-ethyl]sulfanyl-5-phenethyl-tetralin-1-one CAS Name: 6-[[(1S)-2-(1-imidazolyl)-1-phenylethyl]thio]-5-phenethyl-3,4-dihydro-2H-naphthalen-1-one IUPAC Name: 6-[(1S)-2-imidazol-1-yl-1-phenylethyl]sulfanyl-5-phenethyl-3,4-dihydro-2H-naphthalen-1-one Traditional Name: 6-[[(1S)-2-imidazol-1-yl-1-phenyl-ethyl]thio]-5-phenethyl-tetralin-1-one Formula: C29H28N2OS MolecularWeight: 452.61042

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2CCC3=CC=CC=C3)SC(CN4C=CN=C4)C5=CC=CC=C5)C(=O)C1

Isomeric SMILES

C1CC2=C(C=CC(=C2CCC3=CC=CC=C3)S[C@H](CN4C=CN=C4)C5=CC=CC=C5)C(=O)C1

InChI

InChI=1S/C29H28N2OS/c32-27-13-7-12-24-25(27)16-17-28(26(24)15-14-22-8-3-1-4-9-22)33-29(20-31-19-18-30-21-31)23-10-5-2-6-11-23/h1-6,8-11,16-19,21,29H,7,12-15,20H2/t29-/m1/s1