3-[[6-bromanyl-3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[6-bromanyl-3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[6-bromo-3-(3-ethoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[6-bromo-3-(3-ethoxypropyl)-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 3-[[6-bromo-3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[6-bromo-3-(3-ethoxypropyl)-4-keto-quinazolin-2-yl]thio]methyl]benzonitrile Formula: C21H20BrN3O2S MolecularWeight: 458.3714

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CC=CC(=C3)C#N

Isomeric SMILES

CCOCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H20BrN3O2S/c1-2-27-10-4-9-25-20(26)18-12-17(22)7-8-19(18)24-21(25)28-14-16-6-3-5-15(11-16)13-23/h3,5-8,11-12H,2,4,9-10,14H2,1H3