2-[3-[2,4-bis(fluoranyl)phenyl]-6-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[3-[2,4-bis(fluoranyl)phenyl]-6-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[6-chloro-3-(2,4-difluorophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[6-chloro-3-(2,4-difluorophenyl)-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[6-chloro-3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[6-chloro-3-(2,4-difluorophenyl)-4-keto-quinazolin-2-yl]thio]acetonitrile Formula: C16H8ClF2N3OS MolecularWeight: 363.769026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)F)N2C(=O)C3=C(C=CC(=C3)Cl)N=C2SCC#N

Isomeric SMILES

C1=CC(=C(C=C1F)F)N2C(=O)C3=C(C=CC(=C3)Cl)N=C2SCC#N

InChI

InChI=1S/C16H8ClF2N3OS/c17-9-1-3-13-11(7-9)15(23)22(16(21-13)24-6-5-20)14-4-2-10(18)8-12(14)19/h1-4,7-8H,6H2