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

Systemtic Name: 2-ethanimidoyl-3-oxidanylidene-4-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-butanenitrile Openeye Name: 4-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 2-(1-iminoethyl)-3-oxo-4-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]butanenitrile IUPAC Name: 2-ethanimidoyl-3-oxo-4-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylbutanenitrile Traditional Name: 2-acetimidoyl-4-[(3-allyl-4-keto-quinazolin-2-yl)thio]-3-keto-butyronitrile Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC=C

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC=C

InChI

InChI=1S/C17H16N4O2S/c1-3-8-21-16(23)12-6-4-5-7-14(12)20-17(21)24-10-15(22)13(9-18)11(2)19/h3-7,13,19H,1,8,10H2,2H3