2-ethanimidoyl-3-oxidanylidene-4-quinazolin-4-ylsulfanyl-butanenitrile

Systemtic Name: 2-ethanimidoyl-3-oxidanylidene-4-quinazolin-4-ylsulfanyl-butanenitrile Openeye Name: 2-ethanimidoyl-3-oxo-4-quinazolin-4-ylsulfanyl-butanenitrile CAS Name: 2-(1-iminoethyl)-3-oxo-4-(4-quinazolinylthio)butanenitrile IUPAC Name: 2-ethanimidoyl-3-oxo-4-quinazolin-4-ylsulfanylbutanenitrile Traditional Name: 2-acetimidoyl-3-keto-4-(quinazolin-4-ylthio)butyronitrile Formula: C14H12N4OS MolecularWeight: 284.33628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC=NC2=CC=CC=C21

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NC=NC2=CC=CC=C21

InChI

InChI=1S/C14H12N4OS/c1-9(16)11(6-15)13(19)7-20-14-10-4-2-3-5-12(10)17-8-18-14/h2-5,8,11,16H,7H2,1H3