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

Systemtic Name: 2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylethanenitrile Openeye Name: 2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylacetonitrile CAS Name: 2-[[2-(4-bromophenyl)-4-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylacetonitrile Traditional Name: 2-[[2-(4-bromophenyl)quinazolin-4-yl]thio]acetonitrile Formula: C16H10BrN3S MolecularWeight: 356.2397

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10BrN3S/c17-12-7-5-11(6-8-12)15-19-14-4-2-1-3-13(14)16(20-15)21-10-9-18/h1-8H,10H2