(2S)-2-ethanimidoyl-3-oxidanylidene-4-[4-oxidanylidene-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanyl-butanenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O2S/c1-14(24)18(12-23)20(27)13-29-22-25-19-11-7-6-10-17(19)21(28)26(22)15(2)16-8-4-3-5-9-16/h3-11,15,18,24H,13H2,1-2H3/t15-,18-/m1/s1