4-[2-[6-bromanyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[6-bromanyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethoxy]benzenecarbonitrile Openeye Name: 4-[2-[6-bromo-3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanylethoxy]benzonitrile CAS Name: 4-[2-[[6-bromo-3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]ethoxy]benzonitrile IUPAC Name: 4-[2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylethoxy]benzonitrile Traditional Name: 4-[2-[[6-bromo-4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]ethoxy]benzonitrile Formula: C20H18BrN3O3S MolecularWeight: 460.34422

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCCOC3=CC=C(C=C3)C#N

Isomeric SMILES

COCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCCOC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H18BrN3O3S/c1-26-9-8-24-19(25)17-12-15(21)4-7-18(17)23-20(24)28-11-10-27-16-5-2-14(13-22)3-6-16/h2-7,12H,8-11H2,1H3