(2S)-3-methyl-2-[[(1R)-2-phenylsulfanyl-1-pyridin-2-yl-ethyl]amino]butan-1-ol

Systemtic Name: (2S)-3-methyl-2-[[(1R)-2-phenylsulfanyl-1-pyridin-2-yl-ethyl]amino]butan-1-ol Openeye Name: (2S)-3-methyl-2-[[(1R)-2-phenylsulfanyl-1-(2-pyridyl)ethyl]amino]butan-1-ol CAS Name: (2S)-3-methyl-2-[[(1R)-2-(phenylthio)-1-(2-pyridinyl)ethyl]amino]-1-butanol IUPAC Name: (2S)-3-methyl-2-[[(1R)-2-phenylsulfanyl-1-pyridin-2-ylethyl]amino]butan-1-ol Traditional Name: (2S)-3-methyl-2-[[(1R)-2-(phenylthio)-1-(2-pyridyl)ethyl]amino]butan-1-ol Formula: C18H24N2OS MolecularWeight: 316.46096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)NC(CSC1=CC=CC=C1)C2=CC=CC=N2

Isomeric SMILES

CC(C)[C@@H](CO)N[C@@H](CSC1=CC=CC=C1)C2=CC=CC=N2

InChI

InChI=1S/C18H24N2OS/c1-14(2)17(12-21)20-18(16-10-6-7-11-19-16)13-22-15-8-4-3-5-9-15/h3-11,14,17-18,20-21H,12-13H2,1-2H3/t17-,18+/m1/s1