4-[2-[7-chloranyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[7-chloranyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethoxy]benzenecarbonitrile Openeye Name: 4-[2-[7-chloro-3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylethoxy]benzonitrile CAS Name: 4-[2-[[7-chloro-3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]ethoxy]benzonitrile IUPAC Name: 4-[2-[7-chloro-3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylethoxy]benzonitrile Traditional Name: 4-[2-[[7-chloro-4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]ethoxy]benzonitrile Formula: C21H20ClN3O3S MolecularWeight: 429.9198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCOC3=CC=C(C=C3)C#N

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCOC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H20ClN3O3S/c1-27-10-2-9-25-20(26)18-8-5-16(22)13-19(18)24-21(25)29-12-11-28-17-6-3-15(14-23)4-7-17/h3-8,13H,2,9-12H2,1H3