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

Systemtic Name: 2-ethanimidoyl-3-oxidanylidene-4-(4-oxidanylidene-3-pyridin-3-yl-quinazolin-2-yl)sulfanyl-butanenitrile Openeye Name: 2-ethanimidoyl-3-oxo-4-[4-oxo-3-(3-pyridyl)quinazolin-2-yl]sulfanyl-butanenitrile CAS Name: 2-(1-iminoethyl)-3-oxo-4-[[4-oxo-3-(3-pyridinyl)-2-quinazolinyl]thio]butanenitrile IUPAC Name: 2-ethanimidoyl-3-oxo-4-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylbutanenitrile Traditional Name: 2-acetimidoyl-3-keto-4-[[4-keto-3-(3-pyridyl)quinazolin-2-yl]thio]butyronitrile Formula: C19H15N5O2S MolecularWeight: 377.4197

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CN=CC=C3

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CN=CC=C3

InChI

InChI=1S/C19H15N5O2S/c1-12(21)15(9-20)17(25)11-27-19-23-16-7-3-2-6-14(16)18(26)24(19)13-5-4-8-22-10-13/h2-8,10,15,21H,11H2,1H3