2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[[2-(4-bromophenyl)-4-quinazolinyl]thio]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-[[2-(4-bromophenyl)quinazolin-4-yl]thio]-1-(1H-pyrrol-2-yl)ethanone Formula: C20H14BrN3OS MolecularWeight: 424.31366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(C=C3)Br)SCC(=O)C4=CC=CN4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(C=C3)Br)SCC(=O)C4=CC=CN4

InChI

InChI=1S/C20H14BrN3OS/c21-14-9-7-13(8-10-14)19-23-16-5-2-1-4-15(16)20(24-19)26-12-18(25)17-6-3-11-22-17/h1-11,22H,12H2