2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-(4-methyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-(4-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-(4-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[[6-ethyl-2-(4-fluorophenyl)-4-quinazolinyl]thio]-N-(4-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-(4-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]thio]-N-(4-methyl-3-nitro-phenyl)acetamide Formula: C25H21FN4O3S MolecularWeight: 476.522643

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)NC3=CC(=C(C=C3)C)[N+](=O)[O-])C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)NC3=CC(=C(C=C3)C)[N+](=O)[O-])C4=CC=C(C=C4)F

InChI

InChI=1S/C25H21FN4O3S/c1-3-16-5-11-21-20(12-16)25(29-24(28-21)17-6-8-18(26)9-7-17)34-14-23(31)27-19-10-4-15(2)22(13-19)30(32)33/h4-13H,3,14H2,1-2H3,(H,27,31)