2-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-(3-chloro-4-fluoro-phenyl)-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-(3-chloro-4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-(3-chloro-4-fluoro-phenyl)-4-keto-quinazolin-2-yl]thio]acetonitrile Formula: C16H9ClFN3OS MolecularWeight: 345.778563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC#N)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC#N)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C16H9ClFN3OS/c17-12-9-10(5-6-13(12)18)21-15(22)11-3-1-2-4-14(11)20-16(21)23-8-7-19/h1-6,9H,8H2