2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(2-fluoranyl-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(2-fluoranyl-5-nitro-phenyl)ethanamide Openeye Name: 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(2-fluoro-5-nitro-phenyl)acetamide CAS Name: 2-[[4-(ethylamino)-2-quinazolinyl]thio]-N-(2-fluoro-5-nitrophenyl)acetamide IUPAC Name: 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(2-fluoro-5-nitrophenyl)acetamide Traditional Name: 2-[[4-(ethylamino)quinazolin-2-yl]thio]-N-(2-fluoro-5-nitro-phenyl)acetamide Formula: C18H16FN5O3S MolecularWeight: 401.414743

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F

InChI

InChI=1S/C18H16FN5O3S/c1-2-20-17-12-5-3-4-6-14(12)22-18(23-17)28-10-16(25)21-15-9-11(24(26)27)7-8-13(15)19/h3-9H,2,10H2,1H3,(H,21,25)(H,20,22,23)