N-[2-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethyl]ethanamide

Systemtic Name: N-[2-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethyl]ethanamide Openeye Name: N-[2-[3-(3-chloro-4-fluoro-phenyl)-4-oxo-quinazolin-2-yl]sulfanylethyl]acetamide CAS Name: N-[2-[[3-(3-chloro-4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]ethyl]acetamide IUPAC Name: N-[2-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylethyl]acetamide Traditional Name: N-[2-[[3-(3-chloro-4-fluoro-phenyl)-4-keto-quinazolin-2-yl]thio]ethyl]acetamide Formula: C18H15ClFN3O2S MolecularWeight: 391.847003

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC(=O)NCCSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H15ClFN3O2S/c1-11(24)21-8-9-26-18-22-16-5-3-2-4-13(16)17(25)23(18)12-6-7-15(20)14(19)10-12/h2-7,10H,8-9H2,1H3,(H,21,24)