2-[6-bromanyl-3-[(2-methoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[6-bromanyl-3-[(2-methoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[6-bromo-3-[(2-methoxyphenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[6-bromo-3-[(2-methoxyphenyl)methyl]-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[6-bromo-3-[(2-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[(6-bromo-4-keto-3-o-anisyl-quinazolin-2-yl)thio]acetonitrile Formula: C18H14BrN3O2S MolecularWeight: 416.29166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2C(=O)C3=C(C=CC(=C3)Br)N=C2SCC#N

Isomeric SMILES

COC1=CC=CC=C1CN2C(=O)C3=C(C=CC(=C3)Br)N=C2SCC#N

InChI

InChI=1S/C18H14BrN3O2S/c1-24-16-5-3-2-4-12(16)11-22-17(23)14-10-13(19)6-7-15(14)21-18(22)25-9-8-20/h2-7,10H,9,11H2,1H3