4-[2-[2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[2-[2-(5-fluoro-2-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]benzonitrile CAS Name: 4-[2-[[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]benzonitrile IUPAC Name: 4-[2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]benzonitrile Traditional Name: 4-[2-[[2-(5-fluoro-2-methoxy-phenyl)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]benzonitrile Formula: C24H16FN3O3S MolecularWeight: 445.465543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)F)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H16FN3O3S/c1-31-22-11-8-16(25)12-19(22)21(29)14-32-24-27-20-5-3-2-4-18(20)23(30)28(24)17-9-6-15(13-26)7-10-17/h2-12H,14H2,1H3