3-ethyl-2-[(2S)-2-oxidanyl-3-(2,3,6-trimethylphenoxy)propyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-ethyl-2-[(2S)-2-oxidanyl-3-(2,3,6-trimethylphenoxy)propyl]sulfanyl-quinazolin-4-one Openeye Name: 3-ethyl-2-[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]sulfanyl-quinazolin-4-one CAS Name: 3-ethyl-2-[[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]thio]-4-quinazolinone IUPAC Name: 3-ethyl-2-[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]sulfanylquinazolin-4-one Traditional Name: 3-ethyl-2-[[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]thio]quinazolin-4-one Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC(COC3=C(C=CC(=C3C)C)C)O

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SC[C@H](COC3=C(C=CC(=C3C)C)C)O

InChI

InChI=1S/C22H26N2O3S/c1-5-24-21(26)18-8-6-7-9-19(18)23-22(24)28-13-17(25)12-27-20-15(3)11-10-14(2)16(20)4/h6-11,17,25H,5,12-13H2,1-4H3/t17-/m0/s1