4-[[7-chloranyl-4-oxidanylidene-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[7-chloranyl-4-oxidanylidene-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[7-chloro-4-oxo-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[7-chloro-4-oxo-3-[[(2R)-2-oxolanyl]methyl]-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 4-[[7-chloro-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[7-chloro-4-keto-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazolin-2-yl]thio]methyl]benzonitrile Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1C[C@@H](OC1)CN2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H18ClN3O2S/c22-16-7-8-18-19(10-16)24-21(25(20(18)26)12-17-2-1-9-27-17)28-13-15-5-3-14(11-23)4-6-15/h3-8,10,17H,1-2,9,12-13H2/t17-/m1/s1