2-[2-[[2,5-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[[2,5-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[(2,5-difluorophenyl)sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[(2,5-difluorophenyl)thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[(2,5-difluorophenyl)sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[(2,5-difluorophenyl)thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C17H11F2N3OS MolecularWeight: 343.350546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=C(C=CC(=C3)F)F)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=C(C=CC(=C3)F)F)CC#N

InChI

InChI=1S/C17H11F2N3OS/c18-11-5-6-13(19)15(9-11)24-10-16-21-14-4-2-1-3-12(14)17(23)22(16)8-7-20/h1-6,9H,8,10H2