4-(7-chloranyl-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: 4-(7-chloranyl-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-(7-chloro-3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanyl-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[(7-chloro-3-cyclohexyl-4-oxo-2-quinazolinyl)thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[(7-chloro-3-cyclohexyl-4-keto-quinazolin-2-yl)thio]-3-keto-butyronitrile Formula: C20H21ClN4O2S MolecularWeight: 416.92434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3CCCCC3

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3CCCCC3

InChI

InChI=1S/C20H21ClN4O2S/c1-12(23)16(10-22)18(26)11-28-20-24-17-9-13(21)7-8-15(17)19(27)25(20)14-5-3-2-4-6-14/h7-9,14,16,23H,2-6,11H2,1H3