(2S)-2-ethanimidoyl-4-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2S)-2-ethanimidoyl-4-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: (2S)-2-ethanimidoyl-4-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-3-oxo-butanenitrile CAS Name: (2S)-4-[(3-ethyl-4-oxo-2-quinazolinyl)thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2S)-2-ethanimidoyl-4-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-4-[(3-ethyl-4-keto-quinazolin-2-yl)thio]-3-keto-butyronitrile Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C16H16N4O2S/c1-3-20-15(22)11-6-4-5-7-13(11)19-16(20)23-9-14(21)12(8-17)10(2)18/h4-7,12,18H,3,9H2,1-2H3/t12-/m1/s1