2-[(2R)-2-oxidanyl-3-(2,3,6-trimethylphenoxy)propyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 2-[(2R)-2-oxidanyl-3-(2,3,6-trimethylphenoxy)propyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-[(2R)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[(2R)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[(2R)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[[(2R)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]thio]quinazolin-4-one Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCC(CSC2=NC3=CC=CC=C3C(=O)N2CC=C)O)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC[C@H](CSC2=NC3=CC=CC=C3C(=O)N2CC=C)O)C

InChI

InChI=1S/C23H26N2O3S/c1-5-12-25-22(27)19-8-6-7-9-20(19)24-23(25)29-14-18(26)13-28-21-16(3)11-10-15(2)17(21)4/h5-11,18,26H,1,12-14H2,2-4H3/t18-/m1/s1