4-[(1R,3S)-3-azanyl-4-oxidanyl-1-phenyl-butyl]sulfanyl-3-chloranyl-benzenecarbonitrile

Systemtic Name: 4-[(1R,3S)-3-azanyl-4-oxidanyl-1-phenyl-butyl]sulfanyl-3-chloranyl-benzenecarbonitrile Openeye Name: 4-[(1R,3S)-3-amino-4-hydroxy-1-phenyl-butyl]sulfanyl-3-chloro-benzonitrile CAS Name: 4-[[(1R,3S)-3-amino-4-hydroxy-1-phenylbutyl]thio]-3-chlorobenzonitrile IUPAC Name: 4-[(1R,3S)-3-amino-4-hydroxy-1-phenylbutyl]sulfanyl-3-chlorobenzonitrile Traditional Name: 4-[[(1R,3S)-3-amino-4-hydroxy-1-phenyl-butyl]thio]-3-chloro-benzonitrile Formula: C17H17ClN2OS MolecularWeight: 332.84768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(CO)N)SC2=C(C=C(C=C2)C#N)Cl

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](C[C@@H](CO)N)SC2=C(C=C(C=C2)C#N)Cl

InChI

InChI=1S/C17H17ClN2OS/c18-15-8-12(10-19)6-7-16(15)22-17(9-14(20)11-21)13-4-2-1-3-5-13/h1-8,14,17,21H,9,11,20H2/t14-,17+/m0/s1