methyl 2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylethanoate

Systemtic Name: methyl 2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylethanoate Openeye Name: methyl 2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylacetate CAS Name: 2-[[2-(4-bromophenyl)-4-quinazolinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylacetate Traditional Name: 2-[[2-(4-bromophenyl)quinazolin-4-yl]thio]acetic acid methyl ester Formula: C17H13BrN2O2S MolecularWeight: 389.26632

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)CSC1=NC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H13BrN2O2S/c1-22-15(21)10-23-17-13-4-2-3-5-14(13)19-16(20-17)11-6-8-12(18)9-7-11/h2-9H,10H2,1H3