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

Systemtic Name: 1-(4-bromophenyl)-2-[4-(phenethylamino)quinazolin-2-yl]sulfanyl-ethanone Openeye Name: 1-(4-bromophenyl)-2-[4-(phenethylamino)quinazolin-2-yl]sulfanyl-ethanone CAS Name: 1-(4-bromophenyl)-2-[[4-(phenethylamino)-2-quinazolinyl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[4-(phenethylamino)quinazolin-2-yl]sulfanylethanone Traditional Name: 1-(4-bromophenyl)-2-[[4-(phenethylamino)quinazolin-2-yl]thio]ethanone Formula: C24H20BrN3OS MolecularWeight: 478.4041

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC(=NC3=CC=CC=C32)SCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC(=NC3=CC=CC=C32)SCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H20BrN3OS/c25-19-12-10-18(11-13-19)22(29)16-30-24-27-21-9-5-4-8-20(21)23(28-24)26-15-14-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,26,27,28)