2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(4-fluoranyl-3-nitro-phenyl)propanamide

Systemtic Name: 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(4-fluoranyl-3-nitro-phenyl)propanamide Openeye Name: 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(4-fluoro-3-nitro-phenyl)propanamide CAS Name: 2-[[4-(ethylamino)-2-quinazolinyl]thio]-N-(4-fluoro-3-nitrophenyl)propanamide IUPAC Name: 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide Traditional Name: 2-[[4-(ethylamino)quinazolin-2-yl]thio]-N-(4-fluoro-3-nitro-phenyl)propionamide Formula: C19H18FN5O3S MolecularWeight: 415.441323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18FN5O3S/c1-3-21-17-13-6-4-5-7-15(13)23-19(24-17)29-11(2)18(26)22-12-8-9-14(20)16(10-12)25(27)28/h4-11H,3H2,1-2H3,(H,22,26)(H,21,23,24)