4-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylbutan-2-one

Systemtic Name: 4-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylbutan-2-one Openeye Name: 4-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylbutan-2-one CAS Name: 4-[[2-(4-bromophenyl)-4-quinazolinyl]thio]-2-butanone IUPAC Name: 4-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylbutan-2-one Traditional Name: 4-[[2-(4-bromophenyl)quinazolin-4-yl]thio]butan-2-one Formula: C18H15BrN2OS MolecularWeight: 387.2935

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=NC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(=O)CCSC1=NC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H15BrN2OS/c1-12(22)10-11-23-18-15-4-2-3-5-16(15)20-17(21-18)13-6-8-14(19)9-7-13/h2-9H,10-11H2,1H3