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

Systemtic Name: 3-[(1R,3S)-3-azanyl-4-oxidanyl-1-phenyl-butyl]sulfanyl-5-(trifluoromethyl)pyridine-2-carbonitrile Openeye Name: 3-[(1R,3S)-3-amino-4-hydroxy-1-phenyl-butyl]sulfanyl-5-(trifluoromethyl)pyridine-2-carbonitrile CAS Name: 3-[[(1R,3S)-3-amino-4-hydroxy-1-phenylbutyl]thio]-5-(trifluoromethyl)-2-pyridinecarbonitrile IUPAC Name: 3-[(1R,3S)-3-amino-4-hydroxy-1-phenylbutyl]sulfanyl-5-(trifluoromethyl)pyridine-2-carbonitrile Traditional Name: 3-[[(1R,3S)-3-amino-4-hydroxy-1-phenyl-butyl]thio]-5-(trifluoromethyl)picolinonitrile Formula: C17H16F3N3OS MolecularWeight: 367.38865

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(CO)N)SC2=C(N=CC(=C2)C(F)(F)F)C#N

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](C[C@@H](CO)N)SC2=C(N=CC(=C2)C(F)(F)F)C#N

InChI

InChI=1S/C17H16F3N3OS/c18-17(19,20)12-6-16(14(8-21)23-9-12)25-15(7-13(22)10-24)11-4-2-1-3-5-11/h1-6,9,13,15,24H,7,10,22H2/t13-,15+/m0/s1