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

Systemtic Name: 3-[[7-chloranyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[7-chloro-4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[7-chloro-4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 3-[[7-chloro-4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[7-chloro-4-keto-3-(tetrahydrofurfuryl)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=CC(=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O2S/c22-16-6-7-18-19(10-16)24-21(25(20(18)26)12-17-5-2-8-27-17)28-13-15-4-1-3-14(9-15)11-23/h1,3-4,6-7,9-10,17H,2,5,8,12-13H2