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

Systemtic Name: (2S)-4-(7-chloranyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: (2S)-4-(7-chloro-4-oxo-3-pentyl-quinazolin-2-yl)sulfanyl-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: (2S)-4-[(7-chloro-4-oxo-3-pentyl-2-quinazolinyl)thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2S)-4-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-4-[(3-amyl-7-chloro-4-keto-quinazolin-2-yl)thio]-3-keto-butyronitrile Formula: C19H21ClN4O2S MolecularWeight: 404.91364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C19H21ClN4O2S/c1-3-4-5-8-24-18(26)14-7-6-13(20)9-16(14)23-19(24)27-11-17(25)15(10-21)12(2)22/h6-7,9,15,22H,3-5,8,11H2,1-2H3/t15-/m1/s1