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

Systemtic Name: (2S)-2-[[(2R)-2-butylsulfanyl-2-pyridin-2-yl-ethyl]amino]-3-methyl-butan-1-ol Openeye Name: (2S)-2-[[(2R)-2-butylsulfanyl-2-(2-pyridyl)ethyl]amino]-3-methyl-butan-1-ol CAS Name: (2S)-2-[[(2R)-2-(butylthio)-2-(2-pyridinyl)ethyl]amino]-3-methyl-1-butanol IUPAC Name: (2S)-2-[[(2R)-2-butylsulfanyl-2-pyridin-2-ylethyl]amino]-3-methylbutan-1-ol Traditional Name: (2S)-2-[[(2R)-2-(butylthio)-2-(2-pyridyl)ethyl]amino]-3-methyl-butan-1-ol Formula: C16H28N2OS MolecularWeight: 296.47132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(CNC(CO)C(C)C)C1=CC=CC=N1

Isomeric SMILES

CCCCS[C@H](CN[C@H](CO)C(C)C)C1=CC=CC=N1

InChI

InChI=1S/C16H28N2OS/c1-4-5-10-20-16(14-8-6-7-9-17-14)11-18-15(12-19)13(2)3/h6-9,13,15-16,18-19H,4-5,10-12H2,1-3H3/t15-,16-/m1/s1