4-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylbutanenitrile

Systemtic Name: 4-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylbutanenitrile Openeye Name: 4-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylbutanenitrile CAS Name: 4-[[2-(4-bromophenyl)-4-quinazolinyl]thio]butanenitrile IUPAC Name: 4-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylbutanenitrile Traditional Name: 4-[[2-(4-bromophenyl)quinazolin-4-yl]thio]butyronitrile Formula: C18H14BrN3S MolecularWeight: 384.29286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrN3S/c19-14-9-7-13(8-10-14)17-21-16-6-2-1-5-15(16)18(22-17)23-12-4-3-11-20/h1-2,5-10H,3-4,12H2