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

Systemtic Name: 6-chloranyl-2-[(2S)-2-oxidanyl-3-phenoxy-propyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-6-chloro-2-[(2S)-2-hydroxy-3-phenoxy-propyl]sulfanyl-quinazolin-4-one CAS Name: 6-chloro-2-[[(2S)-2-hydroxy-3-phenoxypropyl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 6-chloro-2-[(2S)-2-hydroxy-3-phenoxypropyl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-6-chloro-2-[[(2S)-2-hydroxy-3-phenoxy-propyl]thio]quinazolin-4-one Formula: C20H19ClN2O3S MolecularWeight: 402.89446

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(COC3=CC=CC=C3)O

Isomeric SMILES

C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SC[C@H](COC3=CC=CC=C3)O

InChI

InChI=1S/C20H19ClN2O3S/c1-2-10-23-19(25)17-11-14(21)8-9-18(17)22-20(23)27-13-15(24)12-26-16-6-4-3-5-7-16/h2-9,11,15,24H,1,10,12-13H2/t15-/m0/s1