2-[(1R,3S)-3-azanyl-4-oxidanyl-1-(1,3-thiazol-2-yl)butoxy]-5-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[(1R,3S)-3-azanyl-4-oxidanyl-1-(1,3-thiazol-2-yl)butoxy]-5-fluoranyl-benzenecarbonitrile Openeye Name: 2-[(1R,3S)-3-amino-4-hydroxy-1-thiazol-2-yl-butoxy]-5-fluoro-benzonitrile CAS Name: 2-[(1R,3S)-3-amino-4-hydroxy-1-(2-thiazolyl)butoxy]-5-fluorobenzonitrile IUPAC Name: 2-[(1R,3S)-3-amino-4-hydroxy-1-(1,3-thiazol-2-yl)butoxy]-5-fluorobenzonitrile Traditional Name: 2-[(1R,3S)-3-amino-4-hydroxy-1-thiazol-2-yl-butoxy]-5-fluoro-benzonitrile Formula: C14H14FN3O2S MolecularWeight: 307.343263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)C#N)OC(CC(CO)N)C2=NC=CS2

Isomeric SMILES

C1=CC(=C(C=C1F)C#N)O[C@H](C[C@@H](CO)N)C2=NC=CS2

InChI

InChI=1S/C14H14FN3O2S/c15-10-1-2-12(9(5-10)7-16)20-13(6-11(17)8-19)14-18-3-4-21-14/h1-5,11,13,19H,6,8,17H2/t11-,13+/m0/s1