1-[4-[(2S)-3-(2-methylquinazolin-4-yl)sulfanyl-2-oxidanyl-propoxy]phenyl]ethanone

Systemtic Name: 1-[4-[(2S)-3-(2-methylquinazolin-4-yl)sulfanyl-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[4-[(2S)-2-hydroxy-3-(2-methylquinazolin-4-yl)sulfanyl-propoxy]phenyl]ethanone CAS Name: 1-[4-[(2S)-2-hydroxy-3-[(2-methyl-4-quinazolinyl)thio]propoxy]phenyl]ethanone IUPAC Name: 1-[4-[(2S)-2-hydroxy-3-(2-methylquinazolin-4-yl)sulfanylpropoxy]phenyl]ethanone Traditional Name: 1-[4-[(2S)-2-hydroxy-3-[(2-methylquinazolin-4-yl)thio]propoxy]phenyl]ethanone Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC(COC3=CC=C(C=C3)C(=O)C)O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SC[C@H](COC3=CC=C(C=C3)C(=O)C)O

InChI

InChI=1S/C20H20N2O3S/c1-13(23)15-7-9-17(10-8-15)25-11-16(24)12-26-20-18-5-3-4-6-19(18)21-14(2)22-20/h3-10,16,24H,11-12H2,1-2H3/t16-/m0/s1