2-[4-[(2S)-3-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-2-oxidanyl-propoxy]phenyl]ethanenitrile

Systemtic Name: 2-[4-[(2S)-3-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-2-oxidanyl-propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[(2S)-3-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-2-hydroxy-propoxy]phenyl]acetonitrile CAS Name: 2-[4-[(2S)-3-[(3-ethyl-4-oxo-2-quinazolinyl)thio]-2-hydroxypropoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[(2S)-3-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-hydroxypropoxy]phenyl]acetonitrile Traditional Name: 2-[4-[(2S)-3-[(3-ethyl-4-keto-quinazolin-2-yl)thio]-2-hydroxy-propoxy]phenyl]acetonitrile Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC(COC3=CC=C(C=C3)CC#N)O

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SC[C@H](COC3=CC=C(C=C3)CC#N)O

InChI

InChI=1S/C21H21N3O3S/c1-2-24-20(26)18-5-3-4-6-19(18)23-21(24)28-14-16(25)13-27-17-9-7-15(8-10-17)11-12-22/h3-10,16,25H,2,11,13-14H2,1H3/t16-/m0/s1