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

Systemtic Name: 4-[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-[3-(4-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[[3-(4-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[3-(4-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-3-keto-butyronitrile Formula: C20H15ClN4O2S MolecularWeight: 410.8767

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClN4O2S/c1-12(23)16(10-22)18(26)11-28-20-24-17-5-3-2-4-15(17)19(27)25(20)14-8-6-13(21)7-9-14/h2-9,16,23H,11H2,1H3