3-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanamide

Systemtic Name: 3-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanamide Openeye Name: 3-[3-(3-chloro-4-fluoro-phenyl)-4-oxo-quinazolin-2-yl]sulfanylpropanamide CAS Name: 3-[[3-(3-chloro-4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: 3-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: 3-[[3-(3-chloro-4-fluoro-phenyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C17H13ClFN3O2S MolecularWeight: 377.820423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCC(=O)N)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCC(=O)N)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H13ClFN3O2S/c18-12-9-10(5-6-13(12)19)22-16(24)11-3-1-2-4-14(11)21-17(22)25-8-7-15(20)23/h1-6,9H,7-8H2,(H2,20,23)