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

Systemtic Name: 2-[(1R,3S)-3-azanyl-4-oxidanyl-1-thiophen-2-yl-butoxy]-4-chloranyl-5-fluoranyl-benzenecarbonitrile Openeye Name: 2-[(1R,3S)-3-amino-4-hydroxy-1-(2-thienyl)butoxy]-4-chloro-5-fluoro-benzonitrile CAS Name: 2-[(1R,3S)-3-amino-4-hydroxy-1-thiophen-2-ylbutoxy]-4-chloro-5-fluorobenzonitrile IUPAC Name: 2-[(1R,3S)-3-amino-4-hydroxy-1-thiophen-2-ylbutoxy]-4-chloro-5-fluorobenzonitrile Traditional Name: 2-[(1R,3S)-3-amino-4-hydroxy-1-(2-thienyl)butoxy]-4-chloro-5-fluoro-benzonitrile Formula: C15H14ClFN2O2S MolecularWeight: 340.800263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClFN2O2S/c16-11-6-13(9(7-18)4-12(11)17)21-14(5-10(19)8-20)15-2-1-3-22-15/h1-4,6,10,14,20H,5,8,19H2/t10-,14+/m0/s1