2-[2-[[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[[3-(3-fluoro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[[3-(3-fluoro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[[3-(3-fluoro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C26H18FN5O2S MolecularWeight: 483.516823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5C(=O)N4CC#N)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5C(=O)N4CC#N)F

InChI

InChI=1S/C26H18FN5O2S/c1-16-10-11-17(14-20(16)27)32-25(34)19-7-3-5-9-22(19)30-26(32)35-15-23-29-21-8-4-2-6-18(21)24(33)31(23)13-12-28/h2-11,14H,13,15H2,1H3