N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]thiophene-2-carboxamide

Systemtic Name: N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]thiophene-2-carboxamide Openeye Name: N-[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]thiophene-2-carboxamide CAS Name: N-[2-[(2-chloro-6-fluorophenyl)methylthio]-4-oxo-3-quinazolinyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]thiophene-2-carboxamide Traditional Name: N-[2-[(2-chloro-6-fluoro-benzyl)thio]-4-keto-quinazolin-3-yl]thiophene-2-carboxamide Formula: C20H13ClFN3O2S2 MolecularWeight: 445.917523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=C(C=CC=C3Cl)F)NC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=C(C=CC=C3Cl)F)NC(=O)C4=CC=CS4

InChI

InChI=1S/C20H13ClFN3O2S2/c21-14-6-3-7-15(22)13(14)11-29-20-23-16-8-2-1-5-12(16)19(27)25(20)24-18(26)17-9-4-10-28-17/h1-10H,11H2,(H,24,26)