N-(3-chloranyl-4-cyano-phenyl)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[(3-methyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[(4-keto-3-methyl-quinazolin-2-yl)thio]propionamide Formula: C19H15ClN4O2S MolecularWeight: 398.866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)SC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)SC2=NC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C19H15ClN4O2S/c1-11(17(25)22-13-8-7-12(10-21)15(20)9-13)27-19-23-16-6-4-3-5-14(16)18(26)24(19)2/h3-9,11H,1-2H3,(H,22,25)