5-(cyclohexylmethylsulfanyl)-2-oxidanyl-6-phenyl-3-(phenylmethyl)pyran-4-one

Systemtic Name: 5-(cyclohexylmethylsulfanyl)-2-oxidanyl-6-phenyl-3-(phenylmethyl)pyran-4-one Openeye Name: 3-benzyl-5-(cyclohexylmethylsulfanyl)-2-hydroxy-6-phenyl-pyran-4-one CAS Name: 5-(cyclohexylmethylthio)-2-hydroxy-6-phenyl-3-(phenylmethyl)-4-pyranone IUPAC Name: 3-benzyl-5-(cyclohexylmethylsulfanyl)-2-hydroxy-6-phenylpyran-4-one Traditional Name: 3-benzyl-5-(cyclohexylmethylthio)-2-hydroxy-6-phenyl-pyran-4-one Formula: C25H26O3S MolecularWeight: 406.53714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CSC2=C(OC(=C(C2=O)CC3=CC=CC=C3)O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)CSC2=C(OC(=C(C2=O)CC3=CC=CC=C3)O)C4=CC=CC=C4

InChI

InChI=1S/C25H26O3S/c26-22-21(16-18-10-4-1-5-11-18)25(27)28-23(20-14-8-3-9-15-20)24(22)29-17-19-12-6-2-7-13-19/h1,3-5,8-11,14-15,19,27H,2,6-7,12-13,16-17H2