N-(2-chloranyl-4-nitro-phenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-propanamide

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-propanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[2-(2-furyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[[2-(2-furanyl)-4-quinazolinyl]thio]propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylpropanamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[[2-(2-furyl)quinazolin-4-yl]thio]propionamide Formula: C21H15ClN4O4S MolecularWeight: 454.8862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SC2=NC(=NC3=CC=CC=C32)C4=CC=CO4

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SC2=NC(=NC3=CC=CC=C32)C4=CC=CO4

InChI

InChI=1S/C21H15ClN4O4S/c1-12(20(27)24-17-9-8-13(26(28)29)11-15(17)22)31-21-14-5-2-3-6-16(14)23-19(25-21)18-7-4-10-30-18/h2-12H,1H3,(H,24,27)