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

Systemtic Name: N-(2-cyanoethyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[3-[(4-fluorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[3-(4-fluorobenzyl)-4-keto-quinazolin-2-yl]thio]-N-phenyl-acetamide Formula: C26H21FN4O2S MolecularWeight: 472.533943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F

InChI

InChI=1S/C26H21FN4O2S/c27-20-13-11-19(12-14-20)17-31-25(33)22-9-4-5-10-23(22)29-26(31)34-18-24(32)30(16-6-15-28)21-7-2-1-3-8-21/h1-5,7-14H,6,16-18H2