2-[(1R,3S)-3-azanyl-4-oxidanyl-1-phenyl-butyl]sulfanyl-5-fluoranyl-6-methoxy-pyridine-3-carbonitrile

Systemtic Name: 2-[(1R,3S)-3-azanyl-4-oxidanyl-1-phenyl-butyl]sulfanyl-5-fluoranyl-6-methoxy-pyridine-3-carbonitrile Openeye Name: 2-[(1R,3S)-3-amino-4-hydroxy-1-phenyl-butyl]sulfanyl-5-fluoro-6-methoxy-pyridine-3-carbonitrile CAS Name: 2-[[(1R,3S)-3-amino-4-hydroxy-1-phenylbutyl]thio]-5-fluoro-6-methoxy-3-pyridinecarbonitrile IUPAC Name: 2-[(1R,3S)-3-amino-4-hydroxy-1-phenylbutyl]sulfanyl-5-fluoro-6-methoxypyridine-3-carbonitrile Traditional Name: 2-[[(1R,3S)-3-amino-4-hydroxy-1-phenyl-butyl]thio]-5-fluoro-6-methoxy-nicotinonitrile Formula: C17H18FN3O2S MolecularWeight: 347.407123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=N1)SC(CC(CO)N)C2=CC=CC=C2)C#N)F

Isomeric SMILES

COC1=C(C=C(C(=N1)S[C@H](C[C@@H](CO)N)C2=CC=CC=C2)C#N)F

InChI

InChI=1S/C17H18FN3O2S/c1-23-16-14(18)7-12(9-19)17(21-16)24-15(8-13(20)10-22)11-5-3-2-4-6-11/h2-7,13,15,22H,8,10,20H2,1H3/t13-,15+/m0/s1