2-ethanimidoyl-3-oxidanylidene-4-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]butanenitrile

Systemtic Name: 2-ethanimidoyl-3-oxidanylidene-4-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]butanenitrile Openeye Name: 2-ethanimidoyl-3-oxo-4-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]butanenitrile CAS Name: 2-(1-iminoethyl)-3-oxo-4-[(4-oxo-1H-quinazolin-2-yl)thio]butanenitrile IUPAC Name: 2-ethanimidoyl-3-oxo-4-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]butanenitrile Traditional Name: 2-acetimidoyl-3-keto-4-[(4-keto-1H-quinazolin-2-yl)thio]butyronitrile Formula: C14H12N4O2S MolecularWeight: 300.33568

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C14H12N4O2S/c1-8(16)10(6-15)12(19)7-21-14-17-11-5-3-2-4-9(11)13(20)18-14/h2-5,10,16H,7H2,1H3,(H,17,18,20)