2-[(1R,3S)-3-azanyl-4-oxidanyl-1-phenyl-butyl]sulfanyl-5-bromanyl-benzenecarbonitrile

Systemtic Name: 2-[(1R,3S)-3-azanyl-4-oxidanyl-1-phenyl-butyl]sulfanyl-5-bromanyl-benzenecarbonitrile Openeye Name: 2-[(1R,3S)-3-amino-4-hydroxy-1-phenyl-butyl]sulfanyl-5-bromo-benzonitrile CAS Name: 2-[[(1R,3S)-3-amino-4-hydroxy-1-phenylbutyl]thio]-5-bromobenzonitrile IUPAC Name: 2-[(1R,3S)-3-amino-4-hydroxy-1-phenylbutyl]sulfanyl-5-bromobenzonitrile Traditional Name: 2-[[(1R,3S)-3-amino-4-hydroxy-1-phenyl-butyl]thio]-5-bromo-benzonitrile Formula: C17H17BrN2OS MolecularWeight: 377.29868

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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)Br)C#N

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN2OS/c18-14-6-7-16(13(8-14)10-19)22-17(9-15(20)11-21)12-4-2-1-3-5-12/h1-8,15,17,21H,9,11,20H2/t15-,17+/m0/s1