N-(4-chloranyl-2-fluoranyl-phenyl)-3-(4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-3-(4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: N-(4-chloro-2-fluoro-phenyl)-3-(4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide CAS Name: N-(4-chloro-2-fluorophenyl)-3-[(4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(4-chloro-2-fluorophenyl)-3-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide Traditional Name: N-(4-chloro-2-fluoro-phenyl)-3-[(4-keto-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]propionamide Formula: C21H15ClFN3O2S2 MolecularWeight: 459.944103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCCC(=O)NC4=C(C=C(C=C4)Cl)F)SC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCCC(=O)NC4=C(C=C(C=C4)Cl)F)SC=C3

InChI

InChI=1S/C21H15ClFN3O2S2/c22-13-6-7-17(16(23)12-13)24-18(27)9-11-30-21-25-19-15(8-10-29-19)20(28)26(21)14-4-2-1-3-5-14/h1-8,10,12H,9,11H2,(H,24,27)