(2S,3S)-3-(4-bromophenyl)-2-cyano-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: (2S,3S)-3-(4-bromophenyl)-2-cyano-3-(phenylmethylsulfanyl)propanamide Openeye Name: (2S,3S)-3-benzylsulfanyl-3-(4-bromophenyl)-2-cyano-propanamide CAS Name: (2S,3S)-3-(4-bromophenyl)-2-cyano-3-(phenylmethylthio)propanamide IUPAC Name: (2S,3S)-3-benzylsulfanyl-3-(4-bromophenyl)-2-cyanopropanamide Traditional Name: (2S,3S)-3-(benzylthio)-3-(4-bromophenyl)-2-cyano-propionamide Formula: C17H15BrN2OS MolecularWeight: 375.2828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(C2=CC=C(C=C2)Br)C(C#N)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CS[C@H](C2=CC=C(C=C2)Br)[C@@H](C#N)C(=O)N

InChI

InChI=1S/C17H15BrN2OS/c18-14-8-6-13(7-9-14)16(15(10-19)17(20)21)22-11-12-4-2-1-3-5-12/h1-9,15-16H,11H2,(H2,20,21)/t15-,16-/m1/s1