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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC=C1C(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/c16-12-5-15(10(6-18)3-13(12)17)21-14(4-11(19)7-20)9-1-2-22-8-9/h1-3,5,8,11,14,20H,4,7,19H2/t11-,14+/m0/s1