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

Systemtic Name: (2S)-2-ethanimidoyl-4-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: (2S)-2-ethanimidoyl-4-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-3-oxo-butanenitrile CAS Name: (2S)-4-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2S)-2-ethanimidoyl-4-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-4-[(3-hexyl-4-keto-quinazolin-2-yl)thio]-3-keto-butyronitrile Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C20H24N4O2S/c1-3-4-5-8-11-24-19(26)15-9-6-7-10-17(15)23-20(24)27-13-18(25)16(12-21)14(2)22/h6-7,9-10,16,22H,3-5,8,11,13H2,1-2H3/t16-/m1/s1