2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-fluoranyl-3-nitro-phenyl)propanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-fluoranyl-3-nitro-phenyl)propanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-fluoro-3-nitro-phenyl)propanamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-(4-fluoro-3-nitrophenyl)propanamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-fluoro-3-nitrophenyl)propanamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-(4-fluoro-3-nitro-phenyl)propionamide Formula: C16H12FN3O4S MolecularWeight: 361.347583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])SC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])SC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C16H12FN3O4S/c1-9(25-16-19-12-4-2-3-5-14(12)24-16)15(21)18-10-6-7-11(17)13(8-10)20(22)23/h2-9H,1H3,(H,18,21)