2-ethanimidoyl-4-[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: 2-ethanimidoyl-4-[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: 2-ethanimidoyl-4-[3-[(4-fluorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-3-oxo-butanenitrile CAS Name: 4-[[3-[(4-fluorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 2-ethanimidoyl-4-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[3-(4-fluorobenzyl)-4-keto-quinazolin-2-yl]thio]-3-keto-butyronitrile Formula: C21H17FN4O2S MolecularWeight: 408.448683

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)F

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H17FN4O2S/c1-13(24)17(10-23)19(27)12-29-21-25-18-5-3-2-4-16(18)20(28)26(21)11-14-6-8-15(22)9-7-14/h2-9,17,24H,11-12H2,1H3