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

Systemtic Name: (2R)-2-ethanimidoyl-3-oxidanylidene-4-[4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-butanenitrile Openeye Name: (2R)-2-ethanimidoyl-4-[3-(2-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-3-oxo-butanenitrile CAS Name: (2R)-2-(1-iminoethyl)-3-oxo-4-[[4-oxo-3-(2-propan-2-ylphenyl)-2-quinazolinyl]thio]butanenitrile IUPAC Name: (2R)-2-ethanimidoyl-3-oxo-4-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylbutanenitrile Traditional Name: (2R)-2-acetimidoyl-3-keto-4-[(4-keto-3-o-cumenyl-quinazolin-2-yl)thio]butyronitrile Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C23H22N4O2S/c1-14(2)16-8-5-7-11-20(16)27-22(29)17-9-4-6-10-19(17)26-23(27)30-13-21(28)18(12-24)15(3)25/h4-11,14,18,25H,13H2,1-3H3/t18-/m0/s1