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

Systemtic Name: 3-[[7-chloranyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[7-chloro-3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[7-chloro-3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 3-[[7-chloro-3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[7-chloro-4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]methyl]benzonitrile Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=CC(=C3)C#N

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H18ClN3O2S/c1-26-9-3-8-24-19(25)17-7-6-16(21)11-18(17)23-20(24)27-13-15-5-2-4-14(10-15)12-22/h2,4-7,10-11H,3,8-9,13H2,1H3