4-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: 4-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanyl-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]-3-keto-butyronitrile Formula: C17H15ClN4O2S MolecularWeight: 374.8446

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC2=C(C=C(C=C2)Cl)C(=O)N1CC=C

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NC2=C(C=C(C=C2)Cl)C(=O)N1CC=C

InChI

InChI=1S/C17H15ClN4O2S/c1-3-6-22-16(24)12-7-11(18)4-5-14(12)21-17(22)25-9-15(23)13(8-19)10(2)20/h3-5,7,13,20H,1,6,9H2,2H3