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

Systemtic Name: 4-[6-bromanyl-3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[6-bromo-3-(3-ethoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[6-bromo-3-(3-ethoxypropyl)-4-oxo-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-[6-bromo-3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[6-bromo-3-(3-ethoxypropyl)-4-keto-quinazolin-2-yl]thio]butyronitrile Formula: C17H20BrN3O2S MolecularWeight: 410.3286

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCCCC#N

Isomeric SMILES

CCOCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCCCC#N

InChI

InChI=1S/C17H20BrN3O2S/c1-2-23-10-5-9-21-16(22)14-12-13(18)6-7-15(14)20-17(21)24-11-4-3-8-19/h6-7,12H,2-5,9-11H2,1H3