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

Systemtic Name: N-(2-cyanoethyl)-2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-fluorophenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(2-fluorophenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-(2-fluorophenyl)acetamide Formula: C27H23FN4O2S MolecularWeight: 486.560523

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)C4=CC=CC=C4F

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)C4=CC=CC=C4F

InChI

InChI=1S/C27H23FN4O2S/c1-2-19-12-14-20(15-13-19)32-26(34)21-8-3-5-10-23(21)30-27(32)35-18-25(33)31(17-7-16-29)24-11-6-4-9-22(24)28/h3-6,8-15H,2,7,17-18H2,1H3