1-(4-bromophenyl)-4-quinazolin-4-ylsulfanyl-butan-1-one

Systemtic Name: 1-(4-bromophenyl)-4-quinazolin-4-ylsulfanyl-butan-1-one Openeye Name: 1-(4-bromophenyl)-4-quinazolin-4-ylsulfanyl-butan-1-one CAS Name: 1-(4-bromophenyl)-4-(4-quinazolinylthio)-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-quinazolin-4-ylsulfanylbutan-1-one Traditional Name: 1-(4-bromophenyl)-4-(quinazolin-4-ylthio)butan-1-one Formula: C18H15BrN2OS MolecularWeight: 387.2935

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)SCCCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)SCCCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H15BrN2OS/c19-14-9-7-13(8-10-14)17(22)6-3-11-23-18-15-4-1-2-5-16(15)20-12-21-18/h1-2,4-5,7-10,12H,3,6,11H2