7-(cyclohexylmethoxy)-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one

Systemtic Name: 7-(cyclohexylmethoxy)-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one Openeye Name: 7-(cyclohexylmethoxy)-3-phenyl-2-(4-pyridylmethylsulfanyl)chromen-4-one CAS Name: 7-(cyclohexylmethoxy)-3-phenyl-2-(pyridin-4-ylmethylthio)-1-benzopyran-4-one IUPAC Name: 7-(cyclohexylmethoxy)-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one Traditional Name: 7-(cyclohexylmethoxy)-3-phenyl-2-(4-pyridylmethylthio)chromone Formula: C28H27NO3S MolecularWeight: 457.58388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC2=CC3=C(C=C2)C(=O)C(=C(O3)SCC4=CC=NC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)COC2=CC3=C(C=C2)C(=O)C(=C(O3)SCC4=CC=NC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H27NO3S/c30-27-24-12-11-23(31-18-20-7-3-1-4-8-20)17-25(24)32-28(26(27)22-9-5-2-6-10-22)33-19-21-13-15-29-16-14-21/h2,5-6,9-17,20H,1,3-4,7-8,18-19H2