2-[(1R,3S)-3-azanyl-4-oxidanyl-1-pyridin-3-yl-butyl]sulfanyl-4-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 2-[(1R,3S)-3-azanyl-4-oxidanyl-1-pyridin-3-yl-butyl]sulfanyl-4-(trifluoromethyl)benzenecarbonitrile Openeye Name: 2-[(1R,3S)-3-amino-4-hydroxy-1-(3-pyridyl)butyl]sulfanyl-4-(trifluoromethyl)benzonitrile CAS Name: 2-[[(1R,3S)-3-amino-4-hydroxy-1-(3-pyridinyl)butyl]thio]-4-(trifluoromethyl)benzonitrile IUPAC Name: 2-[(1R,3S)-3-amino-4-hydroxy-1-pyridin-3-ylbutyl]sulfanyl-4-(trifluoromethyl)benzonitrile Traditional Name: 2-[[(1R,3S)-3-amino-4-hydroxy-1-(3-pyridyl)butyl]thio]-4-(trifluoromethyl)benzonitrile Formula: C17H16F3N3OS MolecularWeight: 367.38865

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16F3N3OS/c18-17(19,20)13-4-3-11(8-21)15(6-13)25-16(7-14(22)10-24)12-2-1-5-23-9-12/h1-6,9,14,16,24H,7,10,22H2/t14-,16+/m0/s1