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

Systemtic Name: (3S,4R,5S)-2-[bis(methylsulfanyl)methyl]-4-nitro-3-oxidanyl-3,5-diphenyl-cyclopentene-1-carbonitrile Openeye Name: (3S,4R,5S)-2-[bis(methylsulfanyl)methyl]-3-hydroxy-4-nitro-3,5-diphenyl-cyclopentene-1-carbonitrile CAS Name: (3S,4R,5S)-2-[bis(methylthio)methyl]-3-hydroxy-4-nitro-3,5-diphenyl-1-cyclopentenecarbonitrile IUPAC Name: (3S,4R,5S)-2-[bis(methylsulfanyl)methyl]-3-hydroxy-4-nitro-3,5-diphenylcyclopentene-1-carbonitrile Traditional Name: (3S,4R,5S)-2-[bis(methylthio)methyl]-3-hydroxy-4-nitro-3,5-diphenyl-cyclopentene-1-carbonitrile Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CSC(C1=C(C(C(C1(C2=CC=CC=C2)O)[N+](=O)[O-])C3=CC=CC=C3)C#N)SC

Isomeric SMILES

CSC(C1=C([C@@H]([C@H]([C@@]1(C2=CC=CC=C2)O)[N+](=O)[O-])C3=CC=CC=C3)C#N)SC

InChI

InChI=1S/C21H20N2O3S2/c1-27-20(28-2)18-16(13-22)17(14-9-5-3-6-10-14)19(23(25)26)21(18,24)15-11-7-4-8-12-15/h3-12,17,19-20,24H,1-2H3/t17-,19+,21-/m0/s1