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

Systemtic Name: 4-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-(3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanyl-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[(3-cyclohexyl-4-oxo-2-quinazolinyl)thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[(3-cyclohexyl-4-keto-quinazolin-2-yl)thio]-3-keto-butyronitrile Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CCCCC3

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CCCCC3

InChI

InChI=1S/C20H22N4O2S/c1-13(22)16(11-21)18(25)12-27-20-23-17-10-6-5-9-15(17)19(26)24(20)14-7-3-2-4-8-14/h5-6,9-10,14,16,22H,2-4,7-8,12H2,1H3