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

Systemtic Name: 2-[(1R,3S)-3-azanyl-4-oxidanyl-1-(1,2-thiazol-5-yl)butoxy]-4-chloranyl-5-fluoranyl-benzenecarbonitrile Openeye Name: 2-[(1R,3S)-3-amino-4-hydroxy-1-isothiazol-5-yl-butoxy]-4-chloro-5-fluoro-benzonitrile CAS Name: 2-[(1R,3S)-3-amino-4-hydroxy-1-(5-isothiazolyl)butoxy]-4-chloro-5-fluorobenzonitrile IUPAC Name: 2-[(1R,3S)-3-amino-4-hydroxy-1-(1,2-thiazol-5-yl)butoxy]-4-chloro-5-fluorobenzonitrile Traditional Name: 2-[(1R,3S)-3-amino-4-hydroxy-1-isothiazol-5-yl-butoxy]-4-chloro-5-fluoro-benzonitrile Formula: C14H13ClFN3O2S MolecularWeight: 341.788323

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SN=C1)C(CC(CO)N)OC2=CC(=C(C=C2C#N)F)Cl

Isomeric SMILES

C1=C(SN=C1)[C@@H](C[C@@H](CO)N)OC2=CC(=C(C=C2C#N)F)Cl

InChI

InChI=1S/C14H13ClFN3O2S/c15-10-5-12(8(6-17)3-11(10)16)21-13(4-9(18)7-20)14-1-2-19-22-14/h1-3,5,9,13,20H,4,7,18H2/t9-,13+/m0/s1