3-[(6-oxidanyl-4-oxidanylidene-2-phenethyl-2-phenyl-3H-pyran-5-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(6-oxidanyl-4-oxidanylidene-2-phenethyl-2-phenyl-3H-pyran-5-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(6-hydroxy-4-oxo-2-phenethyl-2-phenyl-3H-pyran-5-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(6-hydroxy-4-oxo-2-phenethyl-2-phenyl-3H-pyran-5-yl)thio]methyl]benzonitrile IUPAC Name: 3-[(6-hydroxy-4-oxo-2-phenethyl-2-phenyl-3H-pyran-5-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(6-hydroxy-4-keto-2-phenethyl-2-phenyl-3H-pyran-5-yl)thio]methyl]benzonitrile Formula: C27H23NO3S MolecularWeight: 441.54142

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(OC1(CCC2=CC=CC=C2)C3=CC=CC=C3)O)SCC4=CC=CC(=C4)C#N

Isomeric SMILES

C1C(=O)C(=C(OC1(CCC2=CC=CC=C2)C3=CC=CC=C3)O)SCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C27H23NO3S/c28-18-21-10-7-11-22(16-21)19-32-25-24(29)17-27(31-26(25)30,23-12-5-2-6-13-23)15-14-20-8-3-1-4-9-20/h1-13,16,30H,14-15,17,19H2