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

Systemtic Name: 2-[4-[(2S)-2-oxidanyl-3-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[(2S)-2-hydroxy-3-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-propoxy]phenyl]acetonitrile CAS Name: 2-[4-[(2S)-2-hydroxy-3-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]propoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[(2S)-2-hydroxy-3-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropoxy]phenyl]acetonitrile Traditional Name: 2-[4-[(2S)-2-hydroxy-3-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]propoxy]phenyl]acetonitrile Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(COC3=CC=C(C=C3)CC#N)O

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SC[C@H](COC3=CC=C(C=C3)CC#N)O

InChI

InChI=1S/C22H23N3O3S/c1-15(2)25-21(27)19-5-3-4-6-20(19)24-22(25)29-14-17(26)13-28-18-9-7-16(8-10-18)11-12-23/h3-10,15,17,26H,11,13-14H2,1-2H3/t17-/m0/s1