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

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-[[4-(ethylamino)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-2-[[4-(ethylamino)quinazolin-2-yl]thio]acetamide Formula: C18H16BrN5O3S MolecularWeight: 462.32034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN5O3S/c1-2-20-17-12-5-3-4-6-14(12)22-18(23-17)28-10-16(25)21-15-8-7-11(24(26)27)9-13(15)19/h3-9H,2,10H2,1H3,(H,21,25)(H,20,22,23)