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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)NCC(C1=CC=CC=N1)SC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](CO)NC[C@H](C1=CC=CC=N1)SC2=CC=CC=C2

InChI

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