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

Systemtic Name: N-(2-cyanoethyl)-2-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[[3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(2-methoxyphenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[[3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]thio]-N-(2-methoxyphenyl)acetamide Formula: C26H21FN4O3S MolecularWeight: 488.533343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

InChI

InChI=1S/C26H21FN4O3S/c1-34-23-10-5-4-9-22(23)30(16-6-15-28)24(32)17-35-26-29-21-8-3-2-7-20(21)25(33)31(26)19-13-11-18(27)12-14-19/h2-5,7-14H,6,16-17H2,1H3