(3S)-1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-1-phenylsulfanyl-hex-5-yn-3-ol

Systemtic Name: (3S)-1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-1-phenylsulfanyl-hex-5-yn-3-ol Openeye Name: (3S)-1-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-1-phenylsulfanyl-hex-5-yn-3-ol CAS Name: (3S)-1-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-1-(phenylthio)-5-hexyn-3-ol IUPAC Name: (3S)-1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-1-phenylsulfanylhex-5-yn-3-ol Traditional Name: (3S)-1-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-1-(phenylthio)hex-5-yn-3-ol Formula: C30H26FNOS MolecularWeight: 467.596943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCC(CC(C1=C(C2=CC=CC=C2N=C1C3CC3)C4=CC=C(C=C4)F)SC5=CC=CC=C5)O

Isomeric SMILES

C#CC[C@@H](CC(C1=C(C2=CC=CC=C2N=C1C3CC3)C4=CC=C(C=C4)F)SC5=CC=CC=C5)O

InChI

InChI=1S/C30H26FNOS/c1-2-8-23(33)19-27(34-24-9-4-3-5-10-24)29-28(20-15-17-22(31)18-16-20)25-11-6-7-12-26(25)32-30(29)21-13-14-21/h1,3-7,9-12,15-18,21,23,27,33H,8,13-14,19H2/t23-,27?/m0/s1