4-[(1R,3S)-3-azanyl-4-oxidanyl-1-phenyl-butyl]sulfanyl-6-(fluoranylmethyl)pyridine-3-carbonitrile

Systemtic Name: 4-[(1R,3S)-3-azanyl-4-oxidanyl-1-phenyl-butyl]sulfanyl-6-(fluoranylmethyl)pyridine-3-carbonitrile Openeye Name: 4-[(1R,3S)-3-amino-4-hydroxy-1-phenyl-butyl]sulfanyl-6-(fluoromethyl)pyridine-3-carbonitrile CAS Name: 4-[[(1R,3S)-3-amino-4-hydroxy-1-phenylbutyl]thio]-6-(fluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 4-[(1R,3S)-3-amino-4-hydroxy-1-phenylbutyl]sulfanyl-6-(fluoromethyl)pyridine-3-carbonitrile Traditional Name: 4-[[(1R,3S)-3-amino-4-hydroxy-1-phenyl-butyl]thio]-6-(fluoromethyl)nicotinonitrile Formula: C17H18FN3OS MolecularWeight: 331.407723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(CO)N)SC2=CC(=NC=C2C#N)CF

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](C[C@@H](CO)N)SC2=CC(=NC=C2C#N)CF

InChI

InChI=1S/C17H18FN3OS/c18-8-15-7-17(13(9-19)10-21-15)23-16(6-14(20)11-22)12-4-2-1-3-5-12/h1-5,7,10,14,16,22H,6,8,11,20H2/t14-,16+/m0/s1