(E,4R)-2-[methyl-[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]amino]-4-phenyl-4-phenylsulfanyl-but-2-enenitrile

Systemtic Name: (E,4R)-2-[methyl-[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]amino]-4-phenyl-4-phenylsulfanyl-but-2-enenitrile Openeye Name: (E,4R)-2-[[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-methyl-amino]-4-phenyl-4-phenylsulfanyl-but-2-enenitrile CAS Name: (E,4R)-2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-4-phenyl-4-(phenylthio)-2-butenenitrile IUPAC Name: (E,4R)-2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-4-phenyl-4-phenylsulfanylbut-2-enenitrile Traditional Name: (E,4R)-2-[[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-methyl-amino]-4-phenyl-4-(phenylthio)but-2-enenitrile Formula: C26H26N2OS MolecularWeight: 414.56244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)N(C)C(=CC(C2=CC=CC=C2)SC3=CC=CC=C3)C#N

Isomeric SMILES

C[C@@H]([C@@H](C1=CC=CC=C1)O)N(C)/C(=C/[C@H](C2=CC=CC=C2)SC3=CC=CC=C3)/C#N

InChI

InChI=1S/C26H26N2OS/c1-20(26(29)22-14-8-4-9-15-22)28(2)23(19-27)18-25(21-12-6-3-7-13-21)30-24-16-10-5-11-17-24/h3-18,20,25-26,29H,1-2H3/b23-18+/t20-,25+,26-/m0/s1