N-(5-chloranyl-2-cyano-phenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(5-chloro-2-cyano-phenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(5-chloro-2-cyanophenyl)-2-[[3-[(4-fluorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(5-chloro-2-cyanophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(5-chloro-2-cyano-phenyl)-2-[[3-(4-fluorobenzyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C24H16ClFN4O2S MolecularWeight: 478.925843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=C(C=CC(=C3)Cl)C#N)CC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=C(C=CC(=C3)Cl)C#N)CC4=CC=C(C=C4)F

InChI

InChI=1S/C24H16ClFN4O2S/c25-17-8-7-16(12-27)21(11-17)28-22(31)14-33-24-29-20-4-2-1-3-19(20)23(32)30(24)13-15-5-9-18(26)10-6-15/h1-11H,13-14H2,(H,28,31)