ethyl 4-[[3-(4-fluorophenyl)sulfanyl-5-nitro-phenyl]amino]quinazoline-2-carboxylate

Systemtic Name: ethyl 4-[[3-(4-fluorophenyl)sulfanyl-5-nitro-phenyl]amino]quinazoline-2-carboxylate Openeye Name: ethyl 4-[3-(4-fluorophenyl)sulfanyl-5-nitro-anilino]quinazoline-2-carboxylate CAS Name: 4-[3-[(4-fluorophenyl)thio]-5-nitroanilino]-2-quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-fluorophenyl)sulfanyl-5-nitroanilino]quinazoline-2-carboxylate Traditional Name: 4-[3-[(4-fluorophenyl)thio]-5-nitro-anilino]quinazoline-2-carboxylic acid ethyl ester Formula: C23H17FN4O4S MolecularWeight: 464.468883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=CC=CC=C2C(=N1)NC3=CC(=CC(=C3)SC4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NC2=CC=CC=C2C(=N1)NC3=CC(=CC(=C3)SC4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C23H17FN4O4S/c1-2-32-23(29)22-26-20-6-4-3-5-19(20)21(27-22)25-15-11-16(28(30)31)13-18(12-15)33-17-9-7-14(24)8-10-17/h3-13H,2H2,1H3,(H,25,26,27)