(2R)-2-ethanimidoyl-4-[3-(2-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2R)-2-ethanimidoyl-4-[3-(2-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: (2R)-2-ethanimidoyl-4-[3-(2-ethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-3-oxo-butanenitrile CAS Name: (2R)-4-[[3-(2-ethylphenyl)-4-oxo-2-quinazolinyl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2R)-2-ethanimidoyl-4-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-3-oxobutanenitrile Traditional Name: (2R)-2-acetimidoyl-4-[[3-(2-ethylphenyl)-4-keto-quinazolin-2-yl]thio]-3-keto-butyronitrile Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C22H20N4O2S/c1-3-15-8-4-7-11-19(15)26-21(28)16-9-5-6-10-18(16)25-22(26)29-13-20(27)17(12-23)14(2)24/h4-11,17,24H,3,13H2,1-2H3/t17-/m0/s1