N-(3-chloranyl-4-fluoranyl-phenyl)-2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-(3,6-dimethyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[(3,6-dimethyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[(4-keto-3,6-dimethyl-quinazolin-2-yl)thio]propionamide Formula: C19H17ClFN3O2S MolecularWeight: 405.873583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SC(C)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SC(C)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C19H17ClFN3O2S/c1-10-4-7-16-13(8-10)18(26)24(3)19(23-16)27-11(2)17(25)22-12-5-6-15(21)14(20)9-12/h4-9,11H,1-3H3,(H,22,25)