(2S)-2-ethanimidoyl-4-(3-ethyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2S)-2-ethanimidoyl-4-(3-ethyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: (2S)-2-ethanimidoyl-4-(3-ethyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanyl-3-oxo-butanenitrile CAS Name: (2S)-4-[(3-ethyl-4-oxo-2-benzo[g]quinazolinyl)thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2S)-2-ethanimidoyl-4-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-4-[(3-ethyl-4-keto-benzo[g]quinazolin-2-yl)thio]-3-keto-butyronitrile Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C20H18N4O2S/c1-3-24-19(26)15-8-13-6-4-5-7-14(13)9-17(15)23-20(24)27-11-18(25)16(10-21)12(2)22/h4-9,16,22H,3,11H2,1-2H3/t16-/m1/s1