2-[(1R,3S)-3-azanyl-4-oxidanyl-1-pyridin-3-yl-butyl]sulfanyl-4-chloranyl-5-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[(1R,3S)-3-azanyl-4-oxidanyl-1-pyridin-3-yl-butyl]sulfanyl-4-chloranyl-5-fluoranyl-benzenecarbonitrile Openeye Name: 2-[(1R,3S)-3-amino-4-hydroxy-1-(3-pyridyl)butyl]sulfanyl-4-chloro-5-fluoro-benzonitrile CAS Name: 2-[[(1R,3S)-3-amino-4-hydroxy-1-(3-pyridinyl)butyl]thio]-4-chloro-5-fluorobenzonitrile IUPAC Name: 2-[(1R,3S)-3-amino-4-hydroxy-1-pyridin-3-ylbutyl]sulfanyl-4-chloro-5-fluorobenzonitrile Traditional Name: 2-[[(1R,3S)-3-amino-4-hydroxy-1-(3-pyridyl)butyl]thio]-4-chloro-5-fluoro-benzonitrile Formula: C16H15ClFN3OS MolecularWeight: 351.826203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(CC(CO)N)SC2=CC(=C(C=C2C#N)F)Cl

Isomeric SMILES

C1=CC(=CN=C1)[C@@H](C[C@@H](CO)N)SC2=CC(=C(C=C2C#N)F)Cl

InChI

InChI=1S/C16H15ClFN3OS/c17-13-6-16(11(7-19)4-14(13)18)23-15(5-12(20)9-22)10-2-1-3-21-8-10/h1-4,6,8,12,15,22H,5,9,20H2/t12-,15+/m0/s1