N-(3-cyanothiophen-2-yl)-2-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[[3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3-cyano-2-thienyl)-2-[[3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C21H13FN4O2S2 MolecularWeight: 436.481923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=C(C=CS3)C#N)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=C(C=CS3)C#N)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H13FN4O2S2/c22-14-5-7-15(8-6-14)26-20(28)16-3-1-2-4-17(16)24-21(26)30-12-18(27)25-19-13(11-23)9-10-29-19/h1-10H,12H2,(H,25,27)