(2S)-3-azanyl-2-[2-(4-bromophenyl)sulfanylethanoyl]but-3-enenitrile

Systemtic Name: (2S)-3-azanyl-2-[2-(4-bromophenyl)sulfanylethanoyl]but-3-enenitrile Openeye Name: (2S)-3-amino-2-[2-(4-bromophenyl)sulfanylacetyl]but-3-enenitrile CAS Name: (2S)-3-amino-2-[2-[(4-bromophenyl)thio]-1-oxoethyl]-3-butenenitrile IUPAC Name: (2S)-3-amino-2-[2-(4-bromophenyl)sulfanylacetyl]but-3-enenitrile Traditional Name: (2S)-3-amino-2-[2-[(4-bromophenyl)thio]acetyl]but-3-enenitrile Formula: C12H11BrN2OS MolecularWeight: 311.19754

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(C#N)C(=O)CSC1=CC=C(C=C1)Br)N

Isomeric SMILES

C=C([C@@H](C#N)C(=O)CSC1=CC=C(C=C1)Br)N

InChI

InChI=1S/C12H11BrN2OS/c1-8(15)11(6-14)12(16)7-17-10-4-2-9(13)3-5-10/h2-5,11H,1,7,15H2/t11-/m1/s1