3-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylpropanenitrile

Systemtic Name: 3-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylpropanenitrile Openeye Name: 3-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylpropanenitrile CAS Name: 3-[[2-(4-bromophenyl)-4-quinazolinyl]thio]propanenitrile IUPAC Name: 3-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylpropanenitrile Traditional Name: 3-[[2-(4-bromophenyl)quinazolin-4-yl]thio]propionitrile Formula: C17H12BrN3S MolecularWeight: 370.26628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrN3S/c18-13-8-6-12(7-9-13)16-20-15-5-2-1-4-14(15)17(21-16)22-11-3-10-19/h1-2,4-9H,3,11H2