(3S,4R,5S)-2-[bis(methylsulfanyl)methyl]-4-ethanoyl-3-oxidanyl-3,5-diphenyl-cyclopentene-1-carbonitrile

Systemtic Name: (3S,4R,5S)-2-[bis(methylsulfanyl)methyl]-4-ethanoyl-3-oxidanyl-3,5-diphenyl-cyclopentene-1-carbonitrile Openeye Name: (3S,4R,5S)-4-acetyl-2-[bis(methylsulfanyl)methyl]-3-hydroxy-3,5-diphenyl-cyclopentene-1-carbonitrile CAS Name: (3S,4R,5S)-4-acetyl-2-[bis(methylthio)methyl]-3-hydroxy-3,5-diphenyl-1-cyclopentenecarbonitrile IUPAC Name: (3S,4R,5S)-4-acetyl-2-[bis(methylsulfanyl)methyl]-3-hydroxy-3,5-diphenylcyclopentene-1-carbonitrile Traditional Name: (3S,4R,5S)-4-acetyl-2-[bis(methylthio)methyl]-3-hydroxy-3,5-diphenyl-cyclopentene-1-carbonitrile Formula: C23H23NO2S2 MolecularWeight: 409.56422

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(C(=C(C1(C2=CC=CC=C2)O)C(SC)SC)C#N)C3=CC=CC=C3

Isomeric SMILES

CC(=O)[C@@H]1[C@H](C(=C([C@]1(C2=CC=CC=C2)O)C(SC)SC)C#N)C3=CC=CC=C3

InChI

InChI=1S/C23H23NO2S2/c1-15(25)20-19(16-10-6-4-7-11-16)18(14-24)21(22(27-2)28-3)23(20,26)17-12-8-5-9-13-17/h4-13,19-20,22,26H,1-3H3/t19-,20+,23+/m0/s1