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

Systemtic Name: (2R)-4-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: (2R)-4-(7-chloro-4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: (2R)-4-[(7-chloro-4-oxo-3-propyl-2-quinazolinyl)thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2R)-4-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: (2R)-2-acetimidoyl-4-[(7-chloro-4-keto-3-propyl-quinazolin-2-yl)thio]-3-keto-butyronitrile Formula: C17H17ClN4O2S MolecularWeight: 376.86048

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C17H17ClN4O2S/c1-3-6-22-16(24)12-5-4-11(18)7-14(12)21-17(22)25-9-15(23)13(8-19)10(2)20/h4-5,7,13,20H,3,6,9H2,1-2H3/t13-/m0/s1