2-[[7-chloranyl-4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[7-chloranyl-4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[7-chloro-3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[7-chloro-4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 2-[[7-chloro-4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[7-chloro-3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]methyl]benzonitrile Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=CC=C3C#N

Isomeric SMILES

CC(C)OCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=CC=C3C#N

InChI

InChI=1S/C22H22ClN3O2S/c1-15(2)28-11-5-10-26-21(27)19-9-8-18(23)12-20(19)25-22(26)29-14-17-7-4-3-6-16(17)13-24/h3-4,6-9,12,15H,5,10-11,14H2,1-2H3