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

Systemtic Name: N-(2-cyanoethyl)-2-[3-(2-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[3-(2-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[[3-(2-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(2-methoxyphenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[[3-(2-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=CC=C4F

Isomeric SMILES

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4F

InChI

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