2-[(2S)-3-(2-methylphenoxy)-2-oxidanyl-propyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 2-[(2S)-3-(2-methylphenoxy)-2-oxidanyl-propyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]thio]quinazolin-4-one Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CSC2=NC3=CC=CC=C3C(=O)N2CC=C)O

Isomeric SMILES

CC1=CC=CC=C1OC[C@@H](CSC2=NC3=CC=CC=C3C(=O)N2CC=C)O

InChI

InChI=1S/C21H22N2O3S/c1-3-12-23-20(25)17-9-5-6-10-18(17)22-21(23)27-14-16(24)13-26-19-11-7-4-8-15(19)2/h3-11,16,24H,1,12-14H2,2H3/t16-/m0/s1