3-[3-(4-bromophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoate

Systemtic Name: 3-[3-(4-bromophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoate Openeye Name: 3-[3-(4-bromophenyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoate CAS Name: 3-[[3-(4-bromophenyl)-4-oxo-2-quinazolinyl]thio]propanoate IUPAC Name: 3-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate Traditional Name: 3-[[3-(4-bromophenyl)-4-keto-quinazolin-2-yl]thio]propionate Formula: C17H12BrN2O3S- MolecularWeight: 404.25778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCC(=O)[O-])C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCC(=O)[O-])C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H13BrN2O3S/c18-11-5-7-12(8-6-11)20-16(23)13-3-1-2-4-14(13)19-17(20)24-10-9-15(21)22/h1-8H,9-10H2,(H,21,22)/p-1