(2S)-4-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2S)-4-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: (2S)-4-[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: (2S)-4-[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2S)-4-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-4-[[3-(3,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-3-keto-butyronitrile Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(C#N)C(=N)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)[C@H](C#N)C(=N)C)C

InChI

InChI=1S/C22H20N4O2S/c1-13-8-14(2)10-16(9-13)26-21(28)17-6-4-5-7-19(17)25-22(26)29-12-20(27)18(11-23)15(3)24/h4-10,18,24H,12H2,1-3H3/t18-/m1/s1